0573-2137 Screening compound: 2-chloro-5-nitro-N-[4-(3-phenyladamantan-1-yl)phenyl]benzamide

0573-2137 Screening compound: 2-chloro-5-nitro-N-[4-(3-phenyladamantan-1-yl)phenyl]benzamide
0573-2137 Screening compound: 2-chloro-5-nitro-N-[4-(3-phenyladamantan-1-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0573-2137
2-chloro-5-nitro-N-[4-(3-phenyladamantan-1-yl)phenyl]benzamide

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

0573-2137

Molecular Formula

C29H27ClN2O3 (C29 H27 ClN2 O3)

Compound Name

2-chloro-5-nitro-N-[4-(3-phenyladamantan-1-yl)phenyl]benzamide

IUPAC name

2-chloro-5-nitro-N-[4-(3-phenyladamantan-1-yl)phenyl]benzamide

SMILES

[O-][N+](c(cc1)cc(C(Nc2ccc(C(CC(C3)C4)(CC3C3)CC34c3ccccc3)cc2)=O)c1Cl)=O

InChI

InChI=1S/C29H27ClN2O3/c30-26-11-10-24(32(34)35)13-25(26)27(33)31-23-8-6-22(7-9-23)29-16-19-12-20(17-29)15-28(14-19,18-29)21-4-2-1-3-5-21/h1-11,13,19-20H,12,14-18H2,(H,31,33)

InChI Key

DERRVEZGTJHGNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.182

Distribution Coefficient, logD

8.172

Water Solubility, LogSw

-6.69

Polar Surface Area

56.201

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

0573-2137 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0573-2137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0573-2137?
Check Price and Availability of 0573-2137, 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 0573-2137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0573-2137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0573-2137
  • 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 0573-2137 available by request