V024-6044 Screening compound: 4-({[1-(3-fluorobenzyl)-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}methyl)benzonitrile

V024-6044 Screening compound: 4-({[1-(3-fluorobenzyl)-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}methyl)benzonitrile
V024-6044 Screening compound: 4-({[1-(3-fluorobenzyl)-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-6044
4-({[1-(3-fluorobenzyl)-5-(hydroxymethyl)-1H-imidazol-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

V024-6044

Molecular Formula

C19H16FN3OS (C19 H16 FN3 OS)

Compound Name

4-({[1-(3-fluorobenzyl)-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}methyl)benzonitrile

IUPAC name

4-[({1-[(3-fluorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)methyl]benzonitrile

SMILES

N#Cc1ccc(CSc2ncc(CO)n2Cc2cc(F)ccc2)cc1

InChI

InChI=1S/C19H16FN3OS/c20-17-3-1-2-16(8-17)11-23-18(12-24)10-22-19(23)25-13-15-6-4-14(9-21)5-7-15/h1-8,10,24H,11-13H2

InChI Key

DTNBIAZKTKNLCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19776487

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

3.128

Water Solubility, LogSw

-2.96

Polar Surface Area

45.415

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

V024-6044 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 V024-6044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-6044?
Check Price and Availability of V024-6044, 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 V024-6044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-6044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-6044
  • 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 V024-6044 available by request