V012-1662 Screening compound: 1-benzyl-3-(3-chlorophenyl)-1-{[3-phenyl-5-(pyrrolidin-1-yl)-1,2-oxazol-4-yl]methyl}urea

V012-1662 Screening compound: 1-benzyl-3-(3-chlorophenyl)-1-{[3-phenyl-5-(pyrrolidin-1-yl)-1,2-oxazol-4-yl]methyl}urea
V012-1662 Screening compound: 1-benzyl-3-(3-chlorophenyl)-1-{[3-phenyl-5-(pyrrolidin-1-yl)-1,2-oxazol-4-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-1662
1-benzyl-3-(3-chlorophenyl)-1-{[3-phenyl-5-(pyrrolidin-1-yl)-1,2-oxazol-4-yl]methyl}urea

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

V012-1662

Molecular Formula

C28H27ClN4O2 (C28 H27 ClN4 O2)

Compound Name

1-benzyl-3-(3-chlorophenyl)-1-{[3-phenyl-5-(pyrrolidin-1-yl)-1,2-oxazol-4-yl]methyl}urea

IUPAC name

1-benzyl-3-(3-chlorophenyl)-1-{[3-phenyl-5-(pyrrolidin-1-yl)-12-oxazol-4-yl]methyl}urea

SMILES

O=C(Nc1cccc(Cl)c1)N(Cc1c(N2CCCC2)onc1-c1ccccc1)Cc1ccccc1

InChI

InChI=1S/C28H27ClN4O2/c29-23-14-9-15-24(18-23)30-28(34)33(19-21-10-3-1-4-11-21)20-25-26(22-12-5-2-6-13-22)31-35-27(25)32-16-7-8-17-32/h1-6,9-15,18H,7-8,16-17,19-20H2,(H,30,34)

InChI Key

NYWKYOZHULSDKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19870805

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

487

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.288

Distribution Coefficient, logD

6.288

Water Solubility, LogSw

-6.37

Polar Surface Area

51.663

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

V012-1662 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 V012-1662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-1662?
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What is the minimum amount of V012-1662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-1662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-1662
  • 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 V012-1662 available by request