K653-0021 Screening compound: 2-[(2-fluorobenzyl)sulfanyl]-1H-1,3-benzimidazol-1-yl (3-nitrophenyl) sulfone

K653-0021 Screening compound: 2-[(2-fluorobenzyl)sulfanyl]-1H-1,3-benzimidazol-1-yl (3-nitrophenyl) sulfone
K653-0021 Screening compound: 2-[(2-fluorobenzyl)sulfanyl]-1H-1,3-benzimidazol-1-yl (3-nitrophenyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound K653-0021
2-[(2-fluorobenzyl)sulfanyl]-1H-1,3-benzimidazol-1-yl (3-nitrophenyl) sulfone

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

K653-0021

Molecular Formula

C20H14FN3O4S2 (C20 H14 FN3 O4 S2)

Compound Name

2-[(2-fluorobenzyl)sulfanyl]-1H-1,3-benzimidazol-1-yl (3-nitrophenyl) sulfone

IUPAC name

2-{[(2-fluorophenyl)methyl]sulfanyl}-1-(3-nitrobenzenesulfonyl)-1H-13-benzodiazole

SMILES

[O-][N+](c1cccc(S(n2c(SCc(cccc3)c3F)nc3c2cccc3)(=O)=O)c1)=O

InChI

InChI=1S/C20H14FN3O4S2/c21-17-9-2-1-6-14(17)13-29-20-22-18-10-3-4-11-19(18)23(20)30(27,28)16-8-5-7-15(12-16)24(25)26/h1-12H,13H2

InChI Key

UVURTPGLLSYQBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.333

Distribution Coefficient, logD

5.333

Water Solubility, LogSw

-5.79

Polar Surface Area

70.245

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with K653-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K653-0021?
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What is the minimum amount of K653-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K653-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K653-0021
  • 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 K653-0021 available by request