K653-0773 Screening compound: 2-{[1-(4-methoxybenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide

K653-0773 Screening compound: 2-{[1-(4-methoxybenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
K653-0773 Screening compound: 2-{[1-(4-methoxybenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K653-0773
2-{[1-(4-methoxybenzenesulfonyl)-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

K653-0773

Molecular Formula

C23H18F3N3O5S2 (C23 H18 F3 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1S(n1c(SCC(Nc(cc2)ccc2OC(F)(F)F)=O)nc2c1cccc2)(=O)=O

InChI

InChI=1S/C23H18F3N3O5S2/c1-33-16-10-12-18(13-11-16)36(31,32)29-20-5-3-2-4-19(20)28-22(29)35-14-21(30)27-15-6-8-17(9-7-15)34-23(24,25)26/h2-13H,14H2,1H3,(H,27,30)

InChI Key

SPEBRHCXRVMELB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.757

Distribution Coefficient, logD

5.757

Water Solubility, LogSw

-5.55

Polar Surface Area

73.494

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with K653-0773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K653-0773?
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What is the minimum amount of K653-0773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K653-0773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K653-0773
  • 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 K653-0773 available by request