V012-7712 Screening compound: 2-chloro-N-[4-(dimethylamino)-3-{[1-(3-methylphenyl)-N-(1-phenylethyl)formamido]methyl}phenyl]benzamide

V012-7712 Screening compound: 2-chloro-N-[4-(dimethylamino)-3-{[1-(3-methylphenyl)-N-(1-phenylethyl)formamido]methyl}phenyl]benzamide
V012-7712 Screening compound: 2-chloro-N-[4-(dimethylamino)-3-{[1-(3-methylphenyl)-N-(1-phenylethyl)formamido]methyl}phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-7712
2-chloro-N-[4-(dimethylamino)-3-{[1-(3-methylphenyl)-N-(1-phenylethyl)formamido]methyl}phenyl]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

V012-7712

Molecular Formula

C32H32ClN3O2 (C32 H32 ClN3 O2)

Compound Name

2-chloro-N-[4-(dimethylamino)-3-{[1-(3-methylphenyl)-N-(1-phenylethyl)formamido]methyl}phenyl]benzamide

IUPAC name

2-chloro-N-[4-(dimethylamino)-3-{[1-(3-methylphenyl)-N-(1-phenylethyl)formamido]methyl}phenyl]benzamide

SMILES

CC(c1ccccc1)N(Cc(cc(cc1)NC(c(cccc2)c2Cl)=O)c1N(C)C)C(c1cc(C)ccc1)=O

InChI

InChI=1S/C32H32ClN3O2/c1-22-11-10-14-25(19-22)32(38)36(23(2)24-12-6-5-7-13-24)21-26-20-27(17-18-30(26)35(3)4)34-31(37)28-15-8-9-16-29(28)33/h5-20,23H,21H2,1-4H3,(H,34,37)/t23-/m0/s1

InChI Key

GTSZYYZAFGVKCE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19799514

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

526.08

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.030

Distribution Coefficient, logD

7.017

Water Solubility, LogSw

-6.17

Polar Surface Area

41.137

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

V012-7712 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 V012-7712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-7712?
Check Price and Availability of V012-7712, 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 V012-7712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-7712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-7712
  • 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 V012-7712 available by request