K653-0681 Screening compound: 2-{[1-(4-bromobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]acetamide

K653-0681 Screening compound: 2-{[1-(4-bromobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]acetamide
K653-0681 Screening compound: 2-{[1-(4-bromobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K653-0681
2-{[1-(4-bromobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]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

K653-0681

Molecular Formula

C23H20BrN3O4S2 (C23 H20 BrN3 O4 S2)

Compound Name

2-{[1-(4-bromobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]acetamide

IUPAC name

2-{[1-(4-bromobenzenesulfonyl)-1H-13-benzodiazol-2-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]acetamide

SMILES

COc1c(CNC(CSc2nc(cccc3)c3n2S(c(cc2)ccc2Br)(=O)=O)=O)cccc1

InChI

InChI=1S/C23H20BrN3O4S2/c1-31-21-9-5-2-6-16(21)14-25-22(28)15-32-23-26-19-7-3-4-8-20(19)27(23)33(29,30)18-12-10-17(24)11-13-18/h2-13H,14-15H2,1H3,(H,25,28)

InChI Key

KRLLICDLSGTGQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.47

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

5.320

Distribution Coefficient, logD

5.320

Water Solubility, LogSw

-5.33

Polar Surface Area

68.966

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with K653-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K653-0681?
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What is the minimum amount of K653-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K653-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K653-0681
  • 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 K653-0681 available by request