K653-0108 Screening compound: 1-(4-methoxybenzenesulfonyl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-1,3-benzodiazole

K653-0108 Screening compound: 1-(4-methoxybenzenesulfonyl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-1,3-benzodiazole
K653-0108 Screening compound: 1-(4-methoxybenzenesulfonyl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K653-0108
1-(4-methoxybenzenesulfonyl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-1,3-benzodiazole

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

K653-0108

Molecular Formula

C22H17F3N2O3S2 (C22 H17 F3 N2 O3 S2)

Compound Name

1-(4-methoxybenzenesulfonyl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-1,3-benzodiazole

IUPAC name

1-(4-methoxybenzenesulfonyl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-13-benzodiazole

SMILES

COc(cc1)ccc1S(n1c(SCc2ccc(C(F)(F)F)cc2)nc2c1cccc2)(=O)=O

InChI

InChI=1S/C22H17F3N2O3S2/c1-30-17-10-12-18(13-11-17)32(28,29)27-20-5-3-2-4-19(20)26-21(27)31-14-15-6-8-16(9-7-15)22(23,24)25/h2-13H,14H2,1H3

InChI Key

BOYAMEUCEYLLOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.763

Distribution Coefficient, logD

5.763

Water Solubility, LogSw

-5.74

Polar Surface Area

44.408

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

K653-0108 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K653-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K653-0108?
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What is the minimum amount of K653-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K653-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K653-0108
  • 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 K653-0108 available by request