L904-0798 Screening compound: 2-chloro-N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzene-1-sulfonamide

L904-0798 Screening compound: 2-chloro-N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzene-1-sulfonamide
L904-0798 Screening compound: 2-chloro-N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L904-0798
2-chloro-N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzene-1-sulfonamide

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

L904-0798

Molecular Formula

C20H14Cl2N2O2S2 (C20 H14 Cl2 N2 O2 S2)

Compound Name

2-chloro-N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzene-1-sulfonamide

IUPAC name

2-chloro-N-[3-chloro-4-(6-methyl-13-benzothiazol-2-yl)phenyl]benzene-1-sulfonamide

SMILES

Cc(cc1)cc2c1nc(-c(ccc(NS(c(cccc1)c1Cl)(=O)=O)c1)c1Cl)s2

InChI

InChI=1S/C20H14Cl2N2O2S2/c1-12-6-9-17-18(10-12)27-20(23-17)14-8-7-13(11-16(14)22)24-28(25,26)19-5-3-2-4-15(19)21/h2-11,24H,1H3

InChI Key

UDVFQKOFFOTKBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27485598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.240

Distribution Coefficient, logD

5.920

Water Solubility, LogSw

-6.29

Polar Surface Area

50.337

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

L904-0798 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L904-0798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L904-0798?
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What is the minimum amount of L904-0798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L904-0798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L904-0798
  • 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 L904-0798 available by request