2995-2035 Screening compound: 15-(3-carboxyphenyl)-19-isopropyl-5,9-dimethyl-14,16-dioxo-15-azapentacyclo[10.5.2.0~1,10~.0~4,9~.0~13,17~]nonadec-18-ene-5-carboxylic acid

2995-2035 Screening compound: 15-(3-carboxyphenyl)-19-isopropyl-5,9-dimethyl-14,16-dioxo-15-azapentacyclo[10.5.2.0~1,10~.0~4,9~.0~13,17~]nonadec-18-ene-5-carboxylic acid
2995-2035 Screening compound: 15-(3-carboxyphenyl)-19-isopropyl-5,9-dimethyl-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 2995-2035
15-(3-carboxyphenyl)-19-isopropyl-5,9-dimethyl-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

2995-2035

Molecular Formula

C31H37NO6 (C31 H37 NO6)

Compound Name

15-(3-carboxyphenyl)-19-isopropyl-5,9-dimethyl-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

15-(3-carboxyphenyl)-59-dimethyl-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(N3c4cc(C(O)=O)ccc4)=O)C3=O)=CC2(CC2)C1C(C)(CCC1)C2C1(C)C(O)=O

InChI

InChI=1S/C31H37NO6/c1-16(2)20-15-31-12-9-21-29(3,10-6-11-30(21,4)28(37)38)22(31)14-19(20)23-24(31)26(34)32(25(23)33)18-8-5-7-17(13-18)27(35)36/h5,7-8,13,15-16,19,21-24H,6,9-12,14H2,1-4H3,(H,35,36)(H,37,38)

InChI Key

HBJMDWSNDUDODD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02083713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.205

Distribution Coefficient, logD

1.516

Water Solubility, LogSw

-4.59

Polar Surface Area

85.650

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-8.33

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

61.30

2995-2035 in Drug Discovery

Included in Screening Libraries

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 2995-2035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2995-2035?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2995-2035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2995-2035
  • 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 2995-2035 available by request