V012-0664 Screening compound: 1-(cyclopropylmethyl)-2-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole

V012-0664 Screening compound: 1-(cyclopropylmethyl)-2-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole
V012-0664 Screening compound: 1-(cyclopropylmethyl)-2-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0664
1-(cyclopropylmethyl)-2-{[(2,5-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

V012-0664

Molecular Formula

C22H23F2N3O2S2 (C22 H23 F2 N3 O2 S2)

Compound Name

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

IUPAC name

1-(cyclopropylmethyl)-2-{[(25-difluorophenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-13-benzodiazole

SMILES

O=S(c(cc1)cc2c1n(CC1CC1)c(SCc(cc(cc1)F)c1F)n2)(N1CCCC1)=O

InChI

InChI=1S/C22H23F2N3O2S2/c23-17-5-7-19(24)16(11-17)14-30-22-25-20-12-18(31(28,29)26-9-1-2-10-26)6-8-21(20)27(22)13-15-3-4-15/h5-8,11-12,15H,1-4,9-10,13-14H2

InChI Key

BHGQRAVNNAOERO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19958270

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.565

Distribution Coefficient, logD

5.564

Water Solubility, LogSw

-5.85

Polar Surface Area

43.077

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with V012-0664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0664?
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What is the minimum amount of V012-0664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0664
  • 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 V012-0664 available by request