V027-6208 Screening compound: 3-tert-butyl-1-{2-[5-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea

V027-6208 Screening compound: 3-tert-butyl-1-{2-[5-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea
V027-6208 Screening compound: 3-tert-butyl-1-{2-[5-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-6208
3-tert-butyl-1-{2-[5-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-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

V027-6208

Molecular Formula

C27H35ClN4O3 (C27 H35 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C27H35ClN4O3/c1-18-11-12-20(15-19(18)2)23-16-24(21-9-7-8-10-22(21)28)32(30-23)25(33)17-31(13-14-35-6)26(34)29-27(3,4)5/h7-12,15,24H,13-14,16-17H2,1-6H3,(H,29,34)/t24-/m0/s1

InChI Key

YBPRPNSBPKGULF-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19978114

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.05

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

5.744

Distribution Coefficient, logD

5.744

Water Solubility, LogSw

-5.95

Polar Surface Area

60.629

Acid Dissociation Constant (pKa)

16.59

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V027-6208 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 V027-6208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-6208?
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What is the minimum amount of V027-6208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-6208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-6208
  • 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 V027-6208 available by request