2995-2032 Screening compound: 19-isopropyl-5,9-dimethyl-15-(1-naphthyl)-14,16-dioxo-15-azapentacyclo[10.5.2.0~1,10~.0~4,9~.0~13,17~]nonadec-18-ene-5-carboxylic acid

2995-2032 Screening compound: 19-isopropyl-5,9-dimethyl-15-(1-naphthyl)-14,16-dioxo-15-azapentacyclo[10.5.2.0~1,10~.0~4,9~.0~13,17~]nonadec-18-ene-5-carboxylic acid
2995-2032 Screening compound: 19-isopropyl-5,9-dimethyl-15-(1-naphthyl)-14,16-dioxo-15-azapentacyclo[10.5.2.0~1,10~.0~4,9~.0~13,17~]nonadec-18-ene-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2995-2032
19-isopropyl-5,9-dimethyl-15-(1-naphthyl)-14,16-dioxo-15-azapentacyclo[10.5.2.0~1,10~.0~4,9~.0~13,17~]nonadec-18-ene-5-carboxylic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

2995-2032

Molecular Formula

C34H39NO4 (C34 H39 NO4)

Compound Name

19-isopropyl-5,9-dimethyl-15-(1-naphthyl)-14,16-dioxo-15-azapentacyclo[10.5.2.0~1,10~.0~4,9~.0~13,17~]nonadec-18-ene-5-carboxylic acid

IUPAC name

59-dimethyl-15-(naphthalen-1-yl)-1416-dioxo-19-(propan-2-yl)-15-azapentacyclo[10.5.2.0^{110}.0^{49}.0^{1317}]nonadec-18-ene-5-carboxylic acid

SMILES

CC(C)C(C(C1)C(C2C(N3c4cccc5ccccc45)=O)C3=O)=CC2(CC2)C1C(C)(CCC1)C2C1(C)C(O)=O

InChI

InChI=1S/C34H39NO4/c1-19(2)23-18-34-16-13-25-32(3,14-8-15-33(25,4)31(38)39)26(34)17-22(23)27-28(34)30(37)35(29(27)36)24-12-7-10-20-9-5-6-11-21(20)24/h5-7,9-12,18-19,22,25-28H,8,13-17H2,1-4H3,(H,38,39)

InChI Key

RNGSERBHOATKNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02083711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.525

Distribution Coefficient, logD

3.232

Water Solubility, LogSw

-6.28

Polar Surface Area

56.669

Acid Dissociation Constant (pKa)

5.11

Base Dissociation Constant (pKb)

-7.36

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

55.90

2995-2032 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2995-2032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2995-2032?
Check Price and Availability of 2995-2032, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2995-2032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2995-2032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2995-2032
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 2995-2032 available by request