V003-7782 Screening compound: 2-chloro-N-{[3-ethyl-5-(2-methoxyphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide

V003-7782 Screening compound: 2-chloro-N-{[3-ethyl-5-(2-methoxyphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
V003-7782 Screening compound: 2-chloro-N-{[3-ethyl-5-(2-methoxyphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-7782
2-chloro-N-{[3-ethyl-5-(2-methoxyphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide

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

V003-7782

Molecular Formula

C31H32ClN3O4 (C31 H32 ClN3 O4)

Compound Name

2-chloro-N-{[3-ethyl-5-(2-methoxyphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide

IUPAC name

2-chloro-N-{[3-ethyl-5-(2-methoxyphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide

SMILES

CCc(c(CN(CC1OCCC1)C(c(cccc1)c1Cl)=O)c1Oc(cccc2)c2OC)nn1-c1ccccc1

InChI

InChI=1S/C31H32ClN3O4/c1-3-27-25(21-34(20-23-14-11-19-38-23)30(36)24-15-7-8-16-26(24)32)31(35(33-27)22-12-5-4-6-13-22)39-29-18-10-9-17-28(29)37-2/h4-10,12-13,15-18,23H,3,11,14,19-21H2,1-2H3/t23-/m1/s1

InChI Key

PELKERUCKMEUEK-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19808789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.07

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.669

Distribution Coefficient, logD

5.669

Water Solubility, LogSw

-5.81

Polar Surface Area

53.920

Acid Dissociation Constant (pKa)

24.34

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.00

References: we are preparing a list of scientific research reports with V003-7782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-7782?
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What is the minimum amount of V003-7782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-7782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-7782
  • 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 V003-7782 available by request