V005-7857 Screening compound: 3-tert-butyl-1-{2-[3-(2-chlorophenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea

V005-7857 Screening compound: 3-tert-butyl-1-{2-[3-(2-chlorophenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea
V005-7857 Screening compound: 3-tert-butyl-1-{2-[3-(2-chlorophenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-7857
3-tert-butyl-1-{2-[3-(2-chlorophenyl)-5-(2-fluorophenyl)-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

V005-7857

Molecular Formula

C25H30ClFN4O3 (C25 H30 ClFN4 O3)

Compound Name

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

IUPAC name

3-tert-butyl-1-{2-[3-(2-chlorophenyl)-5-(2-fluorophenyl)-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)c2F)N=C1c(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C25H30ClFN4O3/c1-25(2,3)28-24(33)30(13-14-34-4)16-23(32)31-22(18-10-6-8-12-20(18)27)15-21(29-31)17-9-5-7-11-19(17)26/h5-12,22H,13-16H2,1-4H3,(H,28,33)/t22-/m1/s1

InChI Key

XIIKYFGKUBMIQV-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19796206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.99

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

4.729

Distribution Coefficient, logD

4.729

Water Solubility, LogSw

-4.82

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

V005-7857 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 V005-7857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-7857?
Check Price and Availability of V005-7857, 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 V005-7857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-7857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-7857
  • 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 V005-7857 available by request