V003-6021 Screening compound: 1-cyclopentyl-2-{[(2,3-difluorophenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole

V003-6021 Screening compound: 1-cyclopentyl-2-{[(2,3-difluorophenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole
V003-6021 Screening compound: 1-cyclopentyl-2-{[(2,3-difluorophenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-6021
1-cyclopentyl-2-{[(2,3-difluorophenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-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

V003-6021

Molecular Formula

C23H25F2N3O2S2 (C23 H25 F2 N3 O2 S2)

Compound Name

1-cyclopentyl-2-{[(2,3-difluorophenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole

IUPAC name

1-cyclopentyl-2-{[(23-difluorophenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-13-benzodiazole

SMILES

O=S(c(cc1)cc2c1n(C1CCCC1)c(SCc(cccc1F)c1F)n2)(N1CCCC1)=O

InChI

InChI=1S/C23H25F2N3O2S2/c24-19-9-5-6-16(22(19)25)15-31-23-26-20-14-18(32(29,30)27-12-3-4-13-27)10-11-21(20)28(23)17-7-1-2-8-17/h5-6,9-11,14,17H,1-4,7-8,12-13,15H2

InChI Key

HDSGNSPVOYMXAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19958416

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

477.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.693

Distribution Coefficient, logD

5.693

Water Solubility, LogSw

-5.94

Polar Surface Area

43.497

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with V003-6021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6021?
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What is the minimum amount of V003-6021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6021
  • 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 V003-6021 available by request