V012-3503 Screening compound: N-benzyl-2-{[(3-ethylphenyl)carbamoyl](2-methylbutyl)amino}-N-[(5-methylthiophen-2-yl)methyl]acetamide

V012-3503 Screening compound: N-benzyl-2-{[(3-ethylphenyl)carbamoyl](2-methylbutyl)amino}-N-[(5-methylthiophen-2-yl)methyl]acetamide
V012-3503 Screening compound: N-benzyl-2-{[(3-ethylphenyl)carbamoyl](2-methylbutyl)amino}-N-[(5-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3503
N-benzyl-2-{[(3-ethylphenyl)carbamoyl](2-methylbutyl)amino}-N-[(5-methylthiophen-2-yl)methyl]acetamide

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

V012-3503

Molecular Formula

C29H37N3O2S (C29 H37 N3 O2 S)

Compound Name

N-benzyl-2-{[(3-ethylphenyl)carbamoyl](2-methylbutyl)amino}-N-[(5-methylthiophen-2-yl)methyl]acetamide

IUPAC name

N-benzyl-2-{[(3-ethylphenyl)carbamoyl](2-methylbutyl)amino}-N-[(5-methylthiophen-2-yl)methyl]acetamide

SMILES

CCC(C)CN(CC(N(Cc1ccc(C)s1)Cc1ccccc1)=O)C(Nc1cc(CC)ccc1)=O

InChI

InChI=1S/C29H37N3O2S/c1-5-22(3)18-32(29(34)30-26-14-10-13-24(6-2)17-26)21-28(33)31(19-25-11-8-7-9-12-25)20-27-16-15-23(4)35-27/h7-17,22H,5-6,18-21H2,1-4H3,(H,30,34)/t22-/m0/s1

InChI Key

HAFMSFSLJNYKEQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19761711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.7

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.886

Distribution Coefficient, logD

6.886

Water Solubility, LogSw

-5.62

Polar Surface Area

41.972

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

V012-3503 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V012-3503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3503?
Check Price and Availability of V012-3503, 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 V012-3503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3503
  • 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 V012-3503 available by request