K653-0761 Screening compound: 2-{[1-(benzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide

K653-0761 Screening compound: 2-{[1-(benzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
K653-0761 Screening compound: 2-{[1-(benzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K653-0761
2-{[1-(benzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide

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

K653-0761

Molecular Formula

C22H16F3N3O4S2 (C22 H16 F3 N3 O4 S2)

Compound Name

2-{[1-(benzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide

IUPAC name

2-{[1-(benzenesulfonyl)-1H-13-benzodiazol-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide

SMILES

O=C(CSc1nc(cccc2)c2n1S(c1ccccc1)(=O)=O)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C22H16F3N3O4S2/c23-22(24,25)32-16-12-10-15(11-13-16)26-20(29)14-33-21-27-18-8-4-5-9-19(18)28(21)34(30,31)17-6-2-1-3-7-17/h1-13H,14H2,(H,26,29)

InChI Key

MIIVXPBCNFQGCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.590

Distribution Coefficient, logD

5.590

Water Solubility, LogSw

-5.74

Polar Surface Area

65.950

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with K653-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K653-0761?
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What is the minimum amount of K653-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K653-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K653-0761
  • 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 K653-0761 available by request