1621-2161 Screening compound: 4-{[(1Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoeth-1-en-1-yl]amino}benzene-1-sulfonamide

1621-2161 Screening compound: 4-{[(1Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoeth-1-en-1-yl]amino}benzene-1-sulfonamide
1621-2161 Screening compound: 4-{[(1Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoeth-1-en-1-yl]amino}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1621-2161
4-{[(1Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoeth-1-en-1-yl]amino}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

1621-2161

Molecular Formula

C18H13BrN4O2S2 (C18 H13 BrN4 O2 S2)

Compound Name

4-{[(1Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoeth-1-en-1-yl]amino}benzene-1-sulfonamide

IUPAC name

4-{[(1Z)-2-[4-(4-bromophenyl)-13-thiazol-2-yl]-2-cyanoeth-1-en-1-yl]amino}benzene-1-sulfonamide

SMILES

NS(c(cc1)ccc1N/C=C(\c1nc(-c(cc2)ccc2Br)cs1)/C#N)(=O)=O

InChI

InChI=1S/C18H13BrN4O2S2/c19-14-3-1-12(2-4-14)17-11-26-18(23-17)13(9-20)10-22-15-5-7-16(8-6-15)27(21,24)25/h1-8,10-11,22H,(H2,21,24,25)

InChI Key

GLNVYJYRSACKNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.316

Distribution Coefficient, logD

4.315

Water Solubility, LogSw

-4.61

Polar Surface Area

88.961

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1621-2161 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1621-2161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1621-2161?
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What is the minimum amount of 1621-2161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1621-2161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1621-2161
  • 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 1621-2161 available by request