V031-3720 Screening compound: (2-{[(3-methylphenyl)methyl]sulfanyl}-1-(1-phenylethyl)-1H-imidazol-5-yl)methanol

V031-3720 Screening compound: (2-{[(3-methylphenyl)methyl]sulfanyl}-1-(1-phenylethyl)-1H-imidazol-5-yl)methanol
V031-3720 Screening compound: (2-{[(3-methylphenyl)methyl]sulfanyl}-1-(1-phenylethyl)-1H-imidazol-5-yl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-3720
(2-{[(3-methylphenyl)methyl]sulfanyl}-1-(1-phenylethyl)-1H-imidazol-5-yl)methanol

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

V031-3720

Molecular Formula

C20H22N2OS (C20 H22 N2 OS)

Compound Name

(2-{[(3-methylphenyl)methyl]sulfanyl}-1-(1-phenylethyl)-1H-imidazol-5-yl)methanol

IUPAC name

(2-{[(3-methylphenyl)methyl]sulfanyl}-1-(1-phenylethyl)-1H-imidazol-5-yl)methanol

SMILES

CC(c1ccccc1)n1c(SCc2cc(C)ccc2)ncc1CO

InChI

InChI=1S/C20H22N2OS/c1-15-7-6-8-17(11-15)14-24-20-21-12-19(13-23)22(20)16(2)18-9-4-3-5-10-18/h3-12,16,23H,13-14H2,1-2H3/t16-/m0/s1

InChI Key

VIFIPRMCFCQBDQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14439166

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

338.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.579

Distribution Coefficient, logD

4.563

Water Solubility, LogSw

-4.33

Polar Surface Area

29.055

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V031-3720 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V031-3720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-3720?
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What is the minimum amount of V031-3720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-3720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-3720
  • 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 V031-3720 available by request