L904-0739 Screening compound: 4-bromo-N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzene-1-sulfonamide

L904-0739 Screening compound: 4-bromo-N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzene-1-sulfonamide
L904-0739 Screening compound: 4-bromo-N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L904-0739
4-bromo-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

L904-0739

Molecular Formula

C20H14BrClN2O2S2 (C20 H14 BrClN2 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1nc(-c(ccc(NS(c(cc1)ccc1Br)(=O)=O)c1)c1Cl)s2

InChI

InChI=1S/C20H14BrClN2O2S2/c1-12-2-9-18-19(10-12)27-20(23-18)16-8-5-14(11-17(16)22)24-28(25,26)15-6-3-13(21)4-7-15/h2-11,24H,1H3

InChI Key

GCTSTLANQCDINN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27485592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.83

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

6.925

Distribution Coefficient, logD

6.338

Water Solubility, LogSw

-6.74

Polar Surface Area

50.337

Acid Dissociation Constant (pKa)

6.94

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

L904-0739 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with L904-0739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L904-0739?
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What is the minimum amount of L904-0739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L904-0739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L904-0739
  • 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 L904-0739 available by request