V013-0231 Screening compound: 2-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-N-[2-(pyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide

V013-0231 Screening compound: 2-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-N-[2-(pyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
V013-0231 Screening compound: 2-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-N-[2-(pyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-0231
2-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-N-[2-(pyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide

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

V013-0231

Molecular Formula

C28H35N5O2 (C28 H35 N5 O2)

Compound Name

2-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-N-[2-(pyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide

IUPAC name

2-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-N-[2-(pyrrolidin-1-yl)ethyl]-13-oxazole-4-carboxamide

SMILES

O=C(c1coc(CN(CC2)CCN2C(c2ccccc2)c2ccccc2)n1)NCCN1CCCC1

InChI

InChI=1S/C28H35N5O2/c34-28(29-13-16-31-14-7-8-15-31)25-22-35-26(30-25)21-32-17-19-33(20-18-32)27(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,9-12,22,27H,7-8,13-21H2,(H,29,34)

InChI Key

BBFMQVPSDYZQBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19914314

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

473.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.177

Distribution Coefficient, logD

1.441

Water Solubility, LogSw

-3.23

Polar Surface Area

53.542

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

V013-0231 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V013-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-0231?
Check Price and Availability of V013-0231, 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 V013-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-0231
  • 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 V013-0231 available by request