V012-3936 Screening compound: 1-{2-[5-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-[2-(morpholin-4-yl)ethyl]urea

V012-3936 Screening compound: 1-{2-[5-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-[2-(morpholin-4-yl)ethyl]urea
V012-3936 Screening compound: 1-{2-[5-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-[2-(morpholin-4-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3936
1-{2-[5-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-[2-(morpholin-4-yl)ethyl]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

V012-3936

Molecular Formula

C28H36ClN5O3 (C28 H36 ClN5 O3)

Compound Name

1-{2-[5-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-[2-(morpholin-4-yl)ethyl]urea

IUPAC name

1-{2-[5-(4-chlorophenyl)-3-(34-dimethylphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-[2-(morpholin-4-yl)ethyl]urea

SMILES

CCNC(N(CCN1CCOCC1)CC(N(C(C1)c(cc2)ccc2Cl)N=C1c1cc(C)c(C)cc1)=O)=O

InChI

InChI=1S/C28H36ClN5O3/c1-4-30-28(36)33(12-11-32-13-15-37-16-14-32)19-27(35)34-26(22-7-9-24(29)10-8-22)18-25(31-34)23-6-5-20(2)21(3)17-23/h5-10,17,26H,4,11-16,18-19H2,1-3H3,(H,30,36)/t26-/m0/s1

InChI Key

CSPNPIPIZVAYKY-SANMLTNESA-N

MDL Number (MFCD)

MFCD19803257

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

526.08

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.339

Distribution Coefficient, logD

3.589

Water Solubility, LogSw

-4.72

Polar Surface Area

64.708

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

V012-3936 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V012-3936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3936?
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What is the minimum amount of V012-3936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3936
  • 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 V012-3936 available by request