V012-6232 Screening compound: 1-{4-[(2-{[[2-(1H-indol-3-yl)ethyl](3-methylbenzyl)amino]methyl}-1,3-oxazol-4-yl)carbonyl]piperazino}-1-ethanone

V012-6232 Screening compound: 1-{4-[(2-{[[2-(1H-indol-3-yl)ethyl](3-methylbenzyl)amino]methyl}-1,3-oxazol-4-yl)carbonyl]piperazino}-1-ethanone
V012-6232 Screening compound: 1-{4-[(2-{[[2-(1H-indol-3-yl)ethyl](3-methylbenzyl)amino]methyl}-1,3-oxazol-4-yl)carbonyl]piperazino}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-6232
1-{4-[(2-{[[2-(1H-indol-3-yl)ethyl](3-methylbenzyl)amino]methyl}-1,3-oxazol-4-yl)carbonyl]piperazino}-1-ethanone

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

V012-6232

Molecular Formula

C29H33N5O3 (C29 H33 N5 O3)

Compound Name

1-{4-[(2-{[[2-(1H-indol-3-yl)ethyl](3-methylbenzyl)amino]methyl}-1,3-oxazol-4-yl)carbonyl]piperazino}-1-ethanone

IUPAC name

1-{4-[2-({[2-(1H-indol-3-yl)ethyl][(3-methylphenyl)methyl]amino}methyl)-13-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one

SMILES

CC(N(CC1)CCN1C(c1coc(CN(CCc2c[nH]c3c2cccc3)Cc2cc(C)ccc2)n1)=O)=O

InChI

InChI=1S/C29H33N5O3/c1-21-6-5-7-23(16-21)18-32(11-10-24-17-30-26-9-4-3-8-25(24)26)19-28-31-27(20-37-28)29(36)34-14-12-33(13-15-34)22(2)35/h3-9,16-17,20,30H,10-15,18-19H2,1-2H3

InChI Key

WNEPFWCCQHUHEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19829501

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.479

Distribution Coefficient, logD

3.479

Water Solubility, LogSw

-3.74

Polar Surface Area

65.778

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.48

V012-6232 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V012-6232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-6232?
Check Price and Availability of V012-6232, 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 V012-6232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-6232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-6232
  • 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 V012-6232 available by request