V008-9005 Screening compound: 3-{2-[3-(2-chlorophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyethyl)-1-(2-methoxyphenyl)urea

V008-9005 Screening compound: 3-{2-[3-(2-chlorophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyethyl)-1-(2-methoxyphenyl)urea
V008-9005 Screening compound: 3-{2-[3-(2-chlorophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyethyl)-1-(2-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9005
3-{2-[3-(2-chlorophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyethyl)-1-(2-methoxyphenyl)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

V008-9005

Molecular Formula

C28H28Cl2N4O4 (C28 H28 Cl2 N4 O4)

Compound Name

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

IUPAC name

3-{2-[3-(2-chlorophenyl)-5-(4-chlorophenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyethyl)-1-(2-methoxyphenyl)urea

SMILES

COCCN(CC(N(C(C1)c(cc2)ccc2Cl)N=C1c(cccc1)c1Cl)=O)C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C28H28Cl2N4O4/c1-37-16-15-33(28(36)31-23-9-5-6-10-26(23)38-2)18-27(35)34-25(19-11-13-20(29)14-12-19)17-24(32-34)21-7-3-4-8-22(21)30/h3-14,25H,15-18H2,1-2H3,(H,31,36)/t25-/m1/s1

InChI Key

MLCJFQIHMDEIAP-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19804381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.640

Distribution Coefficient, logD

5.640

Water Solubility, LogSw

-5.85

Polar Surface Area

67.144

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V008-9005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9005?
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What is the minimum amount of V008-9005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9005
  • 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 V008-9005 available by request