V028-0865 Screening compound: 1-{2-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-3-(propan-2-yl)urea

V028-0865 Screening compound: 1-{2-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-3-(propan-2-yl)urea
V028-0865 Screening compound: 1-{2-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0865
1-{2-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-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

V028-0865

Molecular Formula

C27H33ClFN5O3 (C27 H33 ClFN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(N(CCN1CCOCC1)CC(N(C(C1)c(cc2)ccc2Cl)N=C1c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C27H33ClFN5O3/c1-19(2)30-27(36)33(12-11-32-13-15-37-16-14-32)18-26(35)34-25(21-3-7-22(28)8-4-21)17-24(31-34)20-5-9-23(29)10-6-20/h3-10,19,25H,11-18H2,1-2H3,(H,30,36)/t25-/m0/s1

InChI Key

DENYQLYCUWRNQA-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19801248

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

530.04

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

4.000

Distribution Coefficient, logD

3.249

Water Solubility, LogSw

-4.74

Polar Surface Area

64.056

Acid Dissociation Constant (pKa)

16.86

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

V028-0865 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 V028-0865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0865?
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What is the minimum amount of V028-0865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0865
  • 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 V028-0865 available by request