V012-1338 Screening compound: 1-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methyl-3-(propan-2-yl)urea

V012-1338 Screening compound: 1-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methyl-3-(propan-2-yl)urea
V012-1338 Screening compound: 1-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methyl-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-1338
1-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methyl-3-(propan-2-yl)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

V012-1338

Molecular Formula

C20H23ClN4O2S (C20 H23 ClN4 O2 S)

Compound Name

1-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methyl-3-(propan-2-yl)urea

IUPAC name

1-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methyl-3-(propan-2-yl)urea

SMILES

CC(C)NC(N(C)CC(N(C(C1)c(cc2)ccc2Cl)N=C1c1cccs1)=O)=O

InChI

InChI=1S/C20H23ClN4O2S/c1-13(2)22-20(27)24(3)12-19(26)25-17(14-6-8-15(21)9-7-14)11-16(23-25)18-5-4-10-28-18/h4-10,13,17H,11-12H2,1-3H3,(H,22,27)/t17-/m0/s1

InChI Key

RRYIMSYBQNETNW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19804651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.106

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-4.74

Polar Surface Area

53.416

Acid Dissociation Constant (pKa)

16.41

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

V012-1338 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V012-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-1338?
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What is the minimum amount of V012-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-1338
  • 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 V012-1338 available by request