V027-4964 Screening compound: 2-[2-[(2,4-difluorobenzyl)sulfanyl]-5-(hydroxymethyl)-1H-imidazol-1-yl]ethyl cyanide

V027-4964 Screening compound: 2-[2-[(2,4-difluorobenzyl)sulfanyl]-5-(hydroxymethyl)-1H-imidazol-1-yl]ethyl cyanide
V027-4964 Screening compound: 2-[2-[(2,4-difluorobenzyl)sulfanyl]-5-(hydroxymethyl)-1H-imidazol-1-yl]ethyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4964
2-[2-[(2,4-difluorobenzyl)sulfanyl]-5-(hydroxymethyl)-1H-imidazol-1-yl]ethyl cyanide

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

V027-4964

Molecular Formula

C14H13F2N3OS (C14 H13 F2 N3 OS)

Compound Name

2-[2-[(2,4-difluorobenzyl)sulfanyl]-5-(hydroxymethyl)-1H-imidazol-1-yl]ethyl cyanide

IUPAC name

3-(2-{[(24-difluorophenyl)methyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl)propanenitrile

SMILES

N#CCCn1c(SCc(ccc(F)c2)c2F)ncc1CO

InChI

InChI=1S/C14H13F2N3OS/c15-11-3-2-10(13(16)6-11)9-21-14-18-7-12(8-20)19(14)5-1-4-17/h2-3,6-7,20H,1,5,8-9H2

InChI Key

AQKVPHIDIQVBID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10455636

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

309.34

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

2.012

Distribution Coefficient, logD

2.006

Water Solubility, LogSw

-1.80

Polar Surface Area

46.101

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

V027-4964 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-4964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4964?
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What is the minimum amount of V027-4964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4964
  • 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 V027-4964 available by request