V014-0907 Screening compound: N-{1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-4-ethylbenzamide

V014-0907 Screening compound: N-{1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-4-ethylbenzamide
V014-0907 Screening compound: N-{1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-4-ethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-0907
N-{1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-4-ethylbenzamide

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

V014-0907

Molecular Formula

C30H31Cl2N3O3 (C30 H31 Cl2 N3 O3)

Compound Name

N-{1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-4-ethylbenzamide

IUPAC name

N-{1-[4-(24-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-4-ethylbenzamide

SMILES

CCc(cc1)ccc1C(NC(Cc1ccccc1)C(N(CC1)CC(C)N1C(c(ccc(Cl)c1)c1Cl)=O)=O)=O

InChI

InChI=1S/C30H31Cl2N3O3/c1-3-21-9-11-23(12-10-21)28(36)33-27(17-22-7-5-4-6-8-22)30(38)34-15-16-35(20(2)19-34)29(37)25-14-13-24(31)18-26(25)32/h4-14,18,20,27H,3,15-17,19H2,1-2H3,(H,33,36)

InChI Key

LAVMHTZDAJJEIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19714940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.654

Distribution Coefficient, logD

5.654

Water Solubility, LogSw

-5.92

Polar Surface Area

56.605

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

V014-0907 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V014-0907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0907?
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What is the minimum amount of V014-0907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0907
  • 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 V014-0907 available by request