V013-0899 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]carbamoyl}methyl)-N-(propan-2-yl)heptanamide

V013-0899 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]carbamoyl}methyl)-N-(propan-2-yl)heptanamide
V013-0899 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]carbamoyl}methyl)-N-(propan-2-yl)heptanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-0899
N-({[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]carbamoyl}methyl)-N-(propan-2-yl)heptanamide

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

V013-0899

Molecular Formula

C25H34N2O4S (C25 H34 N2 O4 S)

Compound Name

N-({[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]carbamoyl}methyl)-N-(propan-2-yl)heptanamide

IUPAC name

N-({[(2H-13-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]carbamoyl}methyl)-N-(propan-2-yl)heptanamide

SMILES

CCCCCCC(N(CC(N(Cc1cccs1)Cc(cc1)cc2c1OCO2)=O)C(C)C)=O

InChI

InChI=1S/C25H34N2O4S/c1-4-5-6-7-10-24(28)27(19(2)3)17-25(29)26(16-21-9-8-13-32-21)15-20-11-12-22-23(14-20)31-18-30-22/h8-9,11-14,19H,4-7,10,15-18H2,1-3H3

InChI Key

UZUVSURDURIWAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19748894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.220

Distribution Coefficient, logD

5.220

Water Solubility, LogSw

-4.90

Polar Surface Area

49.755

Acid Dissociation Constant (pKa)

23.51

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

References: we are preparing a list of scientific research reports with V013-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-0899?
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What is the minimum amount of V013-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-0899
  • 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 V013-0899 available by request