V012-5182 Screening compound: 3-cyclopropyl-1-(4-fluorophenyl)-3-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}thiourea

V012-5182 Screening compound: 3-cyclopropyl-1-(4-fluorophenyl)-3-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}thiourea
V012-5182 Screening compound: 3-cyclopropyl-1-(4-fluorophenyl)-3-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5182
3-cyclopropyl-1-(4-fluorophenyl)-3-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}thiourea

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

V012-5182

Molecular Formula

C25H27FN4OS (C25 H27 FN4 OS)

Compound Name

3-cyclopropyl-1-(4-fluorophenyl)-3-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}thiourea

IUPAC name

3-cyclopropyl-1-(4-fluorophenyl)-3-{[3-phenyl-5-(piperidin-1-yl)-12-oxazol-4-yl]methyl}thiourea

SMILES

Fc(cc1)ccc1NC(N(Cc1c(N2CCCCC2)onc1-c1ccccc1)C1CC1)=S

InChI

InChI=1S/C25H27FN4OS/c26-19-9-11-20(12-10-19)27-25(32)30(21-13-14-21)17-22-23(18-7-3-1-4-8-18)28-31-24(22)29-15-5-2-6-16-29/h1,3-4,7-12,21H,2,5-6,13-17H2,(H,27,32)

InChI Key

GOEYJEYFWQYEOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19879204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.838

Distribution Coefficient, logD

5.838

Water Solubility, LogSw

-5.89

Polar Surface Area

36.302

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V012-5182 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 V012-5182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5182?
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What is the minimum amount of V012-5182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5182
  • 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 V012-5182 available by request