V021-9052 Screening compound: N-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzyl-2,4-difluorobenzamide

V021-9052 Screening compound: N-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzyl-2,4-difluorobenzamide
V021-9052 Screening compound: N-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzyl-2,4-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-9052
N-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzyl-2,4-difluorobenzamide

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

V021-9052

Molecular Formula

C30H24F2N2O4 (C30 H24 F2 N2 O4)

Compound Name

N-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzyl-2,4-difluorobenzamide

IUPAC name

N-[3-({[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzyl-24-difluorobenzamide

SMILES

O=C(Cc1cccc(N(Cc2ccccc2)C(c(ccc(F)c2)c2F)=O)c1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C30H24F2N2O4/c31-23-10-11-25(26(32)16-23)30(36)34(18-20-5-2-1-3-6-20)24-8-4-7-21(13-24)15-29(35)33-17-22-9-12-27-28(14-22)38-19-37-27/h1-14,16H,15,17-19H2,(H,33,35)

InChI Key

URYSTLDWULGYKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19915358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.555

Distribution Coefficient, logD

5.555

Water Solubility, LogSw

-5.80

Polar Surface Area

56.905

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

V021-9052 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V021-9052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-9052?
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What is the minimum amount of V021-9052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-9052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-9052
  • 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 V021-9052 available by request