8018-9100 Screening compound: 4-chloro-2-{[(pyridin-3-yl)methyl]amino}-5-sulfamoylbenzoic acid

8018-9100 Screening compound: 4-chloro-2-{[(pyridin-3-yl)methyl]amino}-5-sulfamoylbenzoic acid
8018-9100 Screening compound: 4-chloro-2-{[(pyridin-3-yl)methyl]amino}-5-sulfamoylbenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9100
4-chloro-2-{[(pyridin-3-yl)methyl]amino}-5-sulfamoylbenzoic 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

8018-9100

Molecular Formula

C13H12ClN3O4S (C13 H12 ClN3 O4 S)

Compound Name

4-chloro-2-{[(pyridin-3-yl)methyl]amino}-5-sulfamoylbenzoic acid

IUPAC name

4-chloro-2-{[(pyridin-3-yl)methyl]amino}-5-sulfamoylbenzoic acid

SMILES

NS(c(cc(C(O)=O)c(NCc1cnccc1)c1)c1Cl)(=O)=O

InChI

InChI=1S/C13H12ClN3O4S/c14-10-5-11(17-7-8-2-1-3-16-6-8)9(13(18)19)4-12(10)22(15,20)21/h1-6,17H,7H2,(H,18,19)(H2,15,20,21)

InChI Key

VNJMWCGTFGSIMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.77

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.143

Distribution Coefficient, logD

-2.991

Water Solubility, LogSw

-2.90

Polar Surface Area

98.304

Acid Dissociation Constant (pKa)

3.27

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

8018-9100 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-9100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9100?
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What is the minimum amount of 8018-9100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9100
  • 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 8018-9100 available by request