V002-6573 Screening compound: 2-({[1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)benzonitrile

V002-6573 Screening compound: 2-({[1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)benzonitrile
V002-6573 Screening compound: 2-({[1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-6573
2-({[1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)benzonitrile

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

V002-6573

Molecular Formula

C23H24N4O2S2 (C23 H24 N4 O2 S2)

Compound Name

2-({[1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)benzonitrile

IUPAC name

2-({[1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-13-benzodiazol-2-yl]sulfanyl}methyl)benzonitrile

SMILES

N#Cc1c(CSc2nc(cc(cc3)S(N4CCCC4)(=O)=O)c3n2CC2CC2)cccc1

InChI

InChI=1S/C23H24N4O2S2/c24-14-18-5-1-2-6-19(18)16-30-23-25-21-13-20(31(28,29)26-11-3-4-12-26)9-10-22(21)27(23)15-17-7-8-17/h1-2,5-6,9-10,13,17H,3-4,7-8,11-12,15-16H2

InChI Key

WCRUCGWFFBGNBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19958269

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.874

Distribution Coefficient, logD

4.873

Water Solubility, LogSw

-4.85

Polar Surface Area

60.134

Acid Dissociation Constant (pKa)

24.46

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

V002-6573 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with V002-6573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-6573?
Check Price and Availability of V002-6573, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V002-6573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-6573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-6573
  • 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 V002-6573 available by request