V027-6220 Screening compound: 1-{2-[5-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-(2-methoxyethyl)urea

V027-6220 Screening compound: 1-{2-[5-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-(2-methoxyethyl)urea
V027-6220 Screening compound: 1-{2-[5-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-(2-methoxyethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-6220
1-{2-[5-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-(2-methoxyethyl)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

V027-6220

Molecular Formula

C25H31ClN4O3 (C25 H31 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCNC(N(CCOC)CC(N(C(C1)c(cccc2)c2Cl)N=C1c1cc(C)c(C)cc1)=O)=O

InChI

InChI=1S/C25H31ClN4O3/c1-5-27-25(32)29(12-13-33-4)16-24(31)30-23(20-8-6-7-9-21(20)26)15-22(28-30)19-11-10-17(2)18(3)14-19/h6-11,14,23H,5,12-13,15-16H2,1-4H3,(H,27,32)/t23-/m0/s1

InChI Key

ZQYWQDDEFOHEQL-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19797891

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

471

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.704

Distribution Coefficient, logD

4.704

Water Solubility, LogSw

-4.87

Polar Surface Area

61.431

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V027-6220 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 V027-6220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-6220?
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What is the minimum amount of V027-6220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-6220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-6220
  • 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 V027-6220 available by request