V025-9321 Screening compound: 3-tert-butyl-1-{2-[3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea

V025-9321 Screening compound: 3-tert-butyl-1-{2-[3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea
V025-9321 Screening compound: 3-tert-butyl-1-{2-[3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-9321
3-tert-butyl-1-{2-[3-(4-fluorophenyl)-5-phenyl-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

V025-9321

Molecular Formula

C25H31FN4O3 (C25 H31 FN4 O3)

Compound Name

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

IUPAC name

3-tert-butyl-1-{2-[3-(4-fluorophenyl)-5-phenyl-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea

SMILES

CC(C)(C)NC(N(CCOC)CC(N(C(C1)c2ccccc2)N=C1c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C25H31FN4O3/c1-25(2,3)27-24(32)29(14-15-33-4)17-23(31)30-22(19-8-6-5-7-9-19)16-21(28-30)18-10-12-20(26)13-11-18/h5-13,22H,14-17H2,1-4H3,(H,27,32)/t22-/m1/s1

InChI Key

AMLUXOXUYOVVTL-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19801457

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.54

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

4.206

Distribution Coefficient, logD

4.206

Water Solubility, LogSw

-4.15

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

40.00

V025-9321 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 V025-9321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-9321?
Check Price and Availability of V025-9321, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V025-9321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-9321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-9321
  • 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 V025-9321 available by request