V012-9125 Screening compound: N-benzyl-3-methyl-N-(3-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)butanamide

V012-9125 Screening compound: N-benzyl-3-methyl-N-(3-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)butanamide
V012-9125 Screening compound: N-benzyl-3-methyl-N-(3-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9125
N-benzyl-3-methyl-N-(3-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)butanamide

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

V012-9125

Molecular Formula

C23H28N2O2 (C23 H28 N2 O2)

Compound Name

N-benzyl-3-methyl-N-(3-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)butanamide

IUPAC name

N-benzyl-3-methyl-N-(3-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)butanamide

SMILES

CC(C)CC(N(Cc1ccccc1)c1cc(CC(NCC=C)=O)ccc1)=O

InChI

InChI=1S/C23H28N2O2/c1-4-13-24-22(26)16-20-11-8-12-21(15-20)25(23(27)14-18(2)3)17-19-9-6-5-7-10-19/h4-12,15,18H,1,13-14,16-17H2,2-3H3,(H,24,26)

InChI Key

ATDNXXVKZPFVMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19915100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.780

Distribution Coefficient, logD

3.780

Water Solubility, LogSw

-4.06

Polar Surface Area

39.647

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

V012-9125 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V012-9125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9125?
Check Price and Availability of V012-9125, 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 V012-9125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9125
  • 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 V012-9125 available by request