V001-0857 Screening compound: 1-{2-[3-(2-chlorophenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethylurea

V001-0857 Screening compound: 1-{2-[3-(2-chlorophenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethylurea
V001-0857 Screening compound: 1-{2-[3-(2-chlorophenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-0857
1-{2-[3-(2-chlorophenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethylurea

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

V001-0857

Molecular Formula

C20H20ClFN4O2 (C20 H20 ClFN4 O2)

Compound Name

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

IUPAC name

1-{2-[3-(2-chlorophenyl)-5-(2-fluorophenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethylurea

SMILES

CCNC(NCC(N(C(C1)c(cccc2)c2F)N=C1c(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C20H20ClFN4O2/c1-2-23-20(28)24-12-19(27)26-18(14-8-4-6-10-16(14)22)11-17(25-26)13-7-3-5-9-15(13)21/h3-10,18H,2,11-12H2,1H3,(H2,23,24,28)/t18-/m1/s1

InChI Key

XHRAOOQCZDROCO-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19801230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.459

Distribution Coefficient, logD

3.459

Water Solubility, LogSw

-3.91

Polar Surface Area

61.703

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V001-0857 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 V001-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-0857?
Check Price and Availability of V001-0857, 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 V001-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-0857
  • 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 V001-0857 available by request