8016-0547 Screening compound: 3-(2-chloro-5-nitrophenyl)-3-{[(4-fluorophenyl)sulfonyl]amino}propanoic acid

8016-0547 Screening compound: 3-(2-chloro-5-nitrophenyl)-3-{[(4-fluorophenyl)sulfonyl]amino}propanoic acid
8016-0547 Screening compound: 3-(2-chloro-5-nitrophenyl)-3-{[(4-fluorophenyl)sulfonyl]amino}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0547
3-(2-chloro-5-nitrophenyl)-3-{[(4-fluorophenyl)sulfonyl]amino}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

8016-0547

Molecular Formula

C15H12ClFN2O6S (C15 H12 ClFN2 O6 S)

Compound Name

3-(2-chloro-5-nitrophenyl)-3-{[(4-fluorophenyl)sulfonyl]amino}propanoic acid

IUPAC name

3-(2-chloro-5-nitrophenyl)-3-(4-fluorobenzenesulfonamido)propanoic acid

SMILES

[O-][N+](c(cc1)cc(C(CC(O)=O)NS(c(cc2)ccc2F)(=O)=O)c1Cl)=O

InChI

InChI=1S/C15H12ClFN2O6S/c16-13-6-3-10(19(22)23)7-12(13)14(8-15(20)21)18-26(24,25)11-4-1-9(17)2-5-11/h1-7,14,18H,8H2,(H,20,21)/t14-/m0/s1

InChI Key

CJUGGWRFGKWHLJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05259968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.79

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.189

Distribution Coefficient, logD

0.388

Water Solubility, LogSw

-3.45

Polar Surface Area

103.606

Acid Dissociation Constant (pKa)

4.60

Base Dissociation Constant (pKb)

-8.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.33

8016-0547 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0547?
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What is the minimum amount of 8016-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0547
  • 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 8016-0547 available by request