V016-9612 Screening compound: N-{4-[(benzylcarbamoyl)methyl]phenyl}-N-[(3-fluorophenyl)methyl]-2-methoxyacetamide

V016-9612 Screening compound: N-{4-[(benzylcarbamoyl)methyl]phenyl}-N-[(3-fluorophenyl)methyl]-2-methoxyacetamide
V016-9612 Screening compound: N-{4-[(benzylcarbamoyl)methyl]phenyl}-N-[(3-fluorophenyl)methyl]-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9612
N-{4-[(benzylcarbamoyl)methyl]phenyl}-N-[(3-fluorophenyl)methyl]-2-methoxyacetamide

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

V016-9612

Molecular Formula

C25H25FN2O3 (C25 H25 FN2 O3)

Compound Name

N-{4-[(benzylcarbamoyl)methyl]phenyl}-N-[(3-fluorophenyl)methyl]-2-methoxyacetamide

IUPAC name

N-{4-[(benzylcarbamoyl)methyl]phenyl}-N-[(3-fluorophenyl)methyl]-2-methoxyacetamide

SMILES

COCC(N(Cc1cccc(F)c1)c1ccc(CC(NCc2ccccc2)=O)cc1)=O

InChI

InChI=1S/C25H25FN2O3/c1-31-18-25(30)28(17-21-8-5-9-22(26)14-21)23-12-10-19(11-13-23)15-24(29)27-16-20-6-3-2-4-7-20/h2-14H,15-18H2,1H3,(H,27,29)

InChI Key

DXQNMRRUPHICHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.48

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

3.456

Distribution Coefficient, logD

3.456

Water Solubility, LogSw

-3.79

Polar Surface Area

47.957

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V016-9612 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V016-9612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9612?
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What is the minimum amount of V016-9612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9612
  • 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 V016-9612 available by request