V002-8354 Screening compound: 1-{2-[5-(2-chlorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-methylurea

V002-8354 Screening compound: 1-{2-[5-(2-chlorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-methylurea
V002-8354 Screening compound: 1-{2-[5-(2-chlorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-8354
1-{2-[5-(2-chlorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-methylurea

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

V002-8354

Molecular Formula

C22H25ClN4O3 (C22 H25 ClN4 O3)

Compound Name

1-{2-[5-(2-chlorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-methylurea

IUPAC name

1-{2-[5-(2-chlorophenyl)-3-(3-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-methylurea

SMILES

CCNC(N(C)CC(N(C(C1)c(cccc2)c2Cl)N=C1c1cc(OC)ccc1)=O)=O

InChI

InChI=1S/C22H25ClN4O3/c1-4-24-22(29)26(2)14-21(28)27-20(17-10-5-6-11-18(17)23)13-19(25-27)15-8-7-9-16(12-15)30-3/h5-12,20H,4,13-14H2,1-3H3,(H,24,29)/t20-/m0/s1

InChI Key

HEWWZZSMWAFVLL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19799307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.806

Distribution Coefficient, logD

3.806

Water Solubility, LogSw

-4.31

Polar Surface Area

60.593

Acid Dissociation Constant (pKa)

16.19

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

V002-8354 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 V002-8354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-8354?
Check Price and Availability of V002-8354, 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 V002-8354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-8354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-8354
  • 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 V002-8354 available by request