8009-8567 Screening compound: 4-{2-[(2E)-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-4-(5-chlorothiophen-2-yl)-2,3-dihydro-1,3-thiazol-3-yl]ethyl}benzene-1-sulfonamide

8009-8567 Screening compound: 4-{2-[(2E)-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-4-(5-chlorothiophen-2-yl)-2,3-dihydro-1,3-thiazol-3-yl]ethyl}benzene-1-sulfonamide
8009-8567 Screening compound: 4-{2-[(2E)-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-4-(5-chlorothiophen-2-yl)-2,3-dihydro-1,3-thiazol-3-yl]ethyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8567
4-{2-[(2E)-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-4-(5-chlorothiophen-2-yl)-2,3-dihydro-1,3-thiazol-3-yl]ethyl}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

8009-8567

Molecular Formula

C22H17Cl2F2N3O3S3 (C22 H17 Cl2 F2 N3 O3 S3)

Compound Name

4-{2-[(2E)-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-4-(5-chlorothiophen-2-yl)-2,3-dihydro-1,3-thiazol-3-yl]ethyl}benzene-1-sulfonamide

IUPAC name

4-{2-[(2E)-2-{[4-(chlorodifluoromethoxy)phenyl]imino}-4-(5-chlorothiophen-2-yl)-23-dihydro-13-thiazol-3-yl]ethyl}benzene-1-sulfonamide

SMILES

NS(c1ccc(CCN(C(c(s2)ccc2Cl)=CS2)/C2=N\c(cc2)ccc2OC(F)(F)Cl)cc1)(=O)=O

InChI

InChI=1S/C22H17Cl2F2N3O3S3/c23-20-10-9-19(34-20)18-13-33-21(28-15-3-5-16(6-4-15)32-22(24,25)26)29(18)12-11-14-1-7-17(8-2-14)35(27,30)31/h1-10,13H,11-12H2,(H2,27,30,31)

InChI Key

SHVYDRVFAALMJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820742

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

576.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.128

Distribution Coefficient, logD

6.127

Water Solubility, LogSw

-6.33

Polar Surface Area

69.400

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 8009-8567 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8567
  • 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 8009-8567 available by request