V021-7617 Screening compound: N-[(4-fluorophenyl)methyl]-2-methyl-N-[3-({[(oxolan-2-yl)methyl]carbamoyl}methyl)phenyl]benzamide

V021-7617 Screening compound: N-[(4-fluorophenyl)methyl]-2-methyl-N-[3-({[(oxolan-2-yl)methyl]carbamoyl}methyl)phenyl]benzamide
V021-7617 Screening compound: N-[(4-fluorophenyl)methyl]-2-methyl-N-[3-({[(oxolan-2-yl)methyl]carbamoyl}methyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-7617
N-[(4-fluorophenyl)methyl]-2-methyl-N-[3-({[(oxolan-2-yl)methyl]carbamoyl}methyl)phenyl]benzamide

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

V021-7617

Molecular Formula

C28H29FN2O3 (C28 H29 FN2 O3)

Compound Name

N-[(4-fluorophenyl)methyl]-2-methyl-N-[3-({[(oxolan-2-yl)methyl]carbamoyl}methyl)phenyl]benzamide

IUPAC name

n/a

SMILES

Cc(cccc1)c1C(N(Cc(cc1)ccc1F)c1cc(CC(NCC2OCCC2)=O)ccc1)=O

InChI

InChI=1S/C28H29FN2O3/c1-20-6-2-3-10-26(20)28(33)31(19-21-11-13-23(29)14-12-21)24-8-4-7-22(16-24)17-27(32)30-18-25-9-5-15-34-25/h2-4,6-8,10-14,16,25H,5,9,15,17-19H2,1H3,(H,30,32)/t25-/m1/s1

InChI Key

MYKKIIVIHBABKM-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19915588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.061

Distribution Coefficient, logD

4.061

Water Solubility, LogSw

-4.22

Polar Surface Area

48.444

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

V021-7617 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V021-7617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-7617?
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What is the minimum amount of V021-7617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-7617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-7617
  • 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 V021-7617 available by request