V006-6163 Screening compound: N-(1,2-diphenylethyl)-4-[6-(2-methylbutan-2-yl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]butanamide

V006-6163 Screening compound: N-(1,2-diphenylethyl)-4-[6-(2-methylbutan-2-yl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]butanamide
V006-6163 Screening compound: N-(1,2-diphenylethyl)-4-[6-(2-methylbutan-2-yl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-6163
N-(1,2-diphenylethyl)-4-[6-(2-methylbutan-2-yl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]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

V006-6163

Molecular Formula

C31H36N2O3 (C31 H36 N2 O3)

Compound Name

N-(1,2-diphenylethyl)-4-[6-(2-methylbutan-2-yl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]butanamide

IUPAC name

N-(12-diphenylethyl)-4-[6-(2-methylbutan-2-yl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]butanamide

SMILES

CCC(C)(C)c(cc1)cc(N2CCCC(NC(Cc3ccccc3)c3ccccc3)=O)c1OCC2=O

InChI

InChI=1S/C31H36N2O3/c1-4-31(2,3)25-17-18-28-27(21-25)33(30(35)22-36-28)19-11-16-29(34)32-26(24-14-9-6-10-15-24)20-23-12-7-5-8-13-23/h5-10,12-15,17-18,21,26H,4,11,16,19-20,22H2,1-3H3,(H,32,34)/t26-/m0/s1

InChI Key

PLUMFJNXVWEDTM-SANMLTNESA-N

MDL Number (MFCD)

MFCD19771429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.479

Distribution Coefficient, logD

5.479

Water Solubility, LogSw

-5.36

Polar Surface Area

47.877

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.50

V006-6163 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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 V006-6163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-6163?
Check Price and Availability of V006-6163, 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 V006-6163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-6163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-6163
  • 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 V006-6163 available by request