8015-6186 Screening compound: 3-(2-chloro-5-nitrophenyl)-3-{[4-methoxy-2-(methylsulfanyl)phenyl]formamido}propanoic acid

8015-6186 Screening compound: 3-(2-chloro-5-nitrophenyl)-3-{[4-methoxy-2-(methylsulfanyl)phenyl]formamido}propanoic acid
8015-6186 Screening compound: 3-(2-chloro-5-nitrophenyl)-3-{[4-methoxy-2-(methylsulfanyl)phenyl]formamido}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6186
3-(2-chloro-5-nitrophenyl)-3-{[4-methoxy-2-(methylsulfanyl)phenyl]formamido}propanoic 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

8015-6186

Molecular Formula

C18H17ClN2O6S (C18 H17 ClN2 O6 S)

Compound Name

3-(2-chloro-5-nitrophenyl)-3-{[4-methoxy-2-(methylsulfanyl)phenyl]formamido}propanoic acid

IUPAC name

3-(2-chloro-5-nitrophenyl)-3-{[4-methoxy-2-(methylsulfanyl)phenyl]formamido}propanoic acid

SMILES

COc(cc1)cc(SC)c1C(NC(CC(O)=O)c(cc(cc1)[N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C18H17ClN2O6S/c1-27-11-4-5-12(16(8-11)28-2)18(24)20-15(9-17(22)23)13-7-10(21(25)26)3-6-14(13)19/h3-8,15H,9H2,1-2H3,(H,20,24)(H,22,23)/t15-/m0/s1

InChI Key

WABUDRQBNGLDBU-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05257153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.86

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.722

Distribution Coefficient, logD

1.084

Water Solubility, LogSw

-4.06

Polar Surface Area

93.591

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-6.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8015-6186 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-6186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6186?
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What is the minimum amount of 8015-6186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6186
  • 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 8015-6186 available by request