V011-1151 Screening compound: 2-({[2,4-bis(trifluoromethyl)phenyl]methyl}sulfanyl)-1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole

V011-1151 Screening compound: 2-({[2,4-bis(trifluoromethyl)phenyl]methyl}sulfanyl)-1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole
V011-1151 Screening compound: 2-({[2,4-bis(trifluoromethyl)phenyl]methyl}sulfanyl)-1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-1151
2-({[2,4-bis(trifluoromethyl)phenyl]methyl}sulfanyl)-1-(cyclopropylmethyl)-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

V011-1151

Molecular Formula

C24H23F6N3O2S2 (C24 H23 F6 N3 O2 S2)

Compound Name

2-({[2,4-bis(trifluoromethyl)phenyl]methyl}sulfanyl)-1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole

IUPAC name

2-({[24-bis(trifluoromethyl)phenyl]methyl}sulfanyl)-1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-13-benzodiazole

SMILES

O=S(c(cc1)cc2c1n(CC1CC1)c(SCc1c(C(F)(F)F)cc(C(F)(F)F)cc1)n2)(N1CCCC1)=O

InChI

InChI=1S/C24H23F6N3O2S2/c25-23(26,27)17-6-5-16(19(11-17)24(28,29)30)14-36-22-31-20-12-18(37(34,35)32-9-1-2-10-32)7-8-21(20)33(22)13-15-3-4-15/h5-8,11-12,15H,1-4,9-10,13-14H2

InChI Key

SYPFQIVJGFOTJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19958471

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

563.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.999

Distribution Coefficient, logD

6.996

Water Solubility, LogSw

-6.43

Polar Surface Area

43.077

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

V011-1151 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 V011-1151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-1151?
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What is the minimum amount of V011-1151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-1151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-1151
  • 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 V011-1151 available by request