V012-3217 Screening compound: N~1~-benzyl-4-cyano-N~1~-{3-[2-(isopropylamino)-2-oxoethyl]phenyl}benzamide

V012-3217 Screening compound: N~1~-benzyl-4-cyano-N~1~-{3-[2-(isopropylamino)-2-oxoethyl]phenyl}benzamide
V012-3217 Screening compound: N~1~-benzyl-4-cyano-N~1~-{3-[2-(isopropylamino)-2-oxoethyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3217
N~1~-benzyl-4-cyano-N~1~-{3-[2-(isopropylamino)-2-oxoethyl]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

V012-3217

Molecular Formula

C26H25N3O2 (C26 H25 N3 O2)

Compound Name

N~1~-benzyl-4-cyano-N~1~-{3-[2-(isopropylamino)-2-oxoethyl]phenyl}benzamide

IUPAC name

N-benzyl-4-cyano-N-(3-{[(propan-2-yl)carbamoyl]methyl}phenyl)benzamide

SMILES

CC(C)NC(Cc1cccc(N(Cc2ccccc2)C(c(cc2)ccc2C#N)=O)c1)=O

InChI

InChI=1S/C26H25N3O2/c1-19(2)28-25(30)16-22-9-6-10-24(15-22)29(18-21-7-4-3-5-8-21)26(31)23-13-11-20(17-27)12-14-23/h3-15,19H,16,18H2,1-2H3,(H,28,30)

InChI Key

KBTSECZZZJNKIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19915373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.949

Distribution Coefficient, logD

3.949

Water Solubility, LogSw

-4.16

Polar Surface Area

56.091

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.23

V012-3217 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V012-3217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3217?
Check Price and Availability of V012-3217, 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 V012-3217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3217
  • 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 V012-3217 available by request