V004-3936 Screening compound: N~1~-(3-{4-[(4-acetylpiperazino)carbonyl]-3-benzyl-2-oxo-1,3-oxazolan-5-yl}phenyl)-3-methylbenzamide

V004-3936 Screening compound: N~1~-(3-{4-[(4-acetylpiperazino)carbonyl]-3-benzyl-2-oxo-1,3-oxazolan-5-yl}phenyl)-3-methylbenzamide
V004-3936 Screening compound: N~1~-(3-{4-[(4-acetylpiperazino)carbonyl]-3-benzyl-2-oxo-1,3-oxazolan-5-yl}phenyl)-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3936
N~1~-(3-{4-[(4-acetylpiperazino)carbonyl]-3-benzyl-2-oxo-1,3-oxazolan-5-yl}phenyl)-3-methylbenzamide

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

V004-3936

Molecular Formula

C31H32N4O5 (C31 H32 N4 O5)

Compound Name

N~1~-(3-{4-[(4-acetylpiperazino)carbonyl]-3-benzyl-2-oxo-1,3-oxazolan-5-yl}phenyl)-3-methylbenzamide

IUPAC name

n/a

SMILES

CC(N(CC1)CCN1C(C(C(c1cc(NC(c2cc(C)ccc2)=O)ccc1)O1)N(Cc2ccccc2)C1=O)=O)=O

InChI

InChI=1S/C31H32N4O5/c1-21-8-6-12-25(18-21)29(37)32-26-13-7-11-24(19-26)28-27(30(38)34-16-14-33(15-17-34)22(2)36)35(31(39)40-28)20-23-9-4-3-5-10-23/h3-13,18-19,27-28H,14-17,20H2,1-2H3,(H,32,37)

InChI Key

GKAVGVRSLSPAJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19876552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.235

Distribution Coefficient, logD

3.234

Water Solubility, LogSw

-3.38

Polar Surface Area

81.102

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.00

V004-3936 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V004-3936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3936?
Check Price and Availability of V004-3936, 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 V004-3936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3936
  • 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 V004-3936 available by request