V029-0532 Screening compound: N-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzylthiophene-2-carboxamide

V029-0532 Screening compound: N-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzylthiophene-2-carboxamide
V029-0532 Screening compound: N-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzylthiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0532
N-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzylthiophene-2-carboxamide

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

V029-0532

Molecular Formula

C28H24N2O4S (C28 H24 N2 O4 S)

Compound Name

N-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzylthiophene-2-carboxamide

IUPAC name

N-[3-({[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzylthiophene-2-carboxamide

SMILES

O=C(Cc1cccc(N(Cc2ccccc2)C(c2cccs2)=O)c1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C28H24N2O4S/c31-27(29-17-22-11-12-24-25(15-22)34-19-33-24)16-21-8-4-9-23(14-21)30(18-20-6-2-1-3-7-20)28(32)26-10-5-13-35-26/h1-15H,16-19H2,(H,29,31)

InChI Key

JJHYTGSRYYRVTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19915073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.58

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

5.049

Distribution Coefficient, logD

5.049

Water Solubility, LogSw

-4.95

Polar Surface Area

57.923

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with V029-0532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0532?
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What is the minimum amount of V029-0532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0532
  • 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 V029-0532 available by request