8009-0493 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-4-[4-(piperidine-1-sulfonyl)phenyl]-1,3-thiazol-2-amine

8009-0493 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-4-[4-(piperidine-1-sulfonyl)phenyl]-1,3-thiazol-2-amine
8009-0493 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-4-[4-(piperidine-1-sulfonyl)phenyl]-1,3-thiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0493
N-(4-chloro-2,5-dimethoxyphenyl)-4-[4-(piperidine-1-sulfonyl)phenyl]-1,3-thiazol-2-amine

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

8009-0493

Molecular Formula

C22H24ClN3O4S2 (C22 H24 ClN3 O4 S2)

Compound Name

N-(4-chloro-2,5-dimethoxyphenyl)-4-[4-(piperidine-1-sulfonyl)phenyl]-1,3-thiazol-2-amine

IUPAC name

N-(4-chloro-25-dimethoxyphenyl)-4-[4-(piperidine-1-sulfonyl)phenyl]-13-thiazol-2-amine

SMILES

COc(c(Nc1nc(-c(cc2)ccc2S(N2CCCCC2)(=O)=O)cs1)c1)cc(Cl)c1OC

InChI

InChI=1S/C22H24ClN3O4S2/c1-29-20-13-18(21(30-2)12-17(20)23)24-22-25-19(14-31-22)15-6-8-16(9-7-15)32(27,28)26-10-4-3-5-11-26/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,24,25)

InChI Key

CQZFAGLRSNBLOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460941

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

494.04

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.932

Distribution Coefficient, logD

5.931

Water Solubility, LogSw

-6.17

Polar Surface Area

65.200

Acid Dissociation Constant (pKa)

16.44

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

8009-0493 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0493?
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What is the minimum amount of 8009-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0493
  • 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 8009-0493 available by request