V027-6222 Screening compound: 1-{2-[3-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-(propan-2-yl)urea

V027-6222 Screening compound: 1-{2-[3-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-(propan-2-yl)urea
V027-6222 Screening compound: 1-{2-[3-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-6222
1-{2-[3-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-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

V027-6222

Molecular Formula

C26H33FN4O3 (C26 H33 FN4 O3)

Compound Name

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

IUPAC name

1-{2-[3-(34-dimethylphenyl)-5-(4-fluorophenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-(propan-2-yl)urea

SMILES

CC(C)NC(N(CCOC)CC(N(C(C1)c(cc2)ccc2F)N=C1c1cc(C)c(C)cc1)=O)=O

InChI

InChI=1S/C26H33FN4O3/c1-17(2)28-26(33)30(12-13-34-5)16-25(32)31-24(20-8-10-22(27)11-9-20)15-23(29-31)21-7-6-18(3)19(4)14-21/h6-11,14,17,24H,12-13,15-16H2,1-5H3,(H,28,33)/t24-/m0/s1

InChI Key

AAZPUYWNDSBTMO-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19797849

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

468.57

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

4.714

Distribution Coefficient, logD

4.714

Water Solubility, LogSw

-4.38

Polar Surface Area

60.779

Acid Dissociation Constant (pKa)

16.86

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

V027-6222 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 V027-6222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-6222?
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What is the minimum amount of V027-6222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-6222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-6222
  • 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 V027-6222 available by request