V017-4344 Screening compound: N-(cyclopropylmethyl)-N-(2-{4-[(2-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide

V017-4344 Screening compound: N-(cyclopropylmethyl)-N-(2-{4-[(2-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
V017-4344 Screening compound: N-(cyclopropylmethyl)-N-(2-{4-[(2-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4344
N-(cyclopropylmethyl)-N-(2-{4-[(2-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-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

V017-4344

Molecular Formula

C29H30N2O5S (C29 H30 N2 O5 S)

Compound Name

N-(cyclopropylmethyl)-N-(2-{4-[(2-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(cyclopropylmethyl)-N-(2-{4-[(2-methylphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-2H-13-benzodioxole-5-carboxamide

SMILES

Cc(cccc1)c1OCC(c1c(CC2)scc1)N2C(CN(CC1CC1)C(c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C29H30N2O5S/c1-19-4-2-3-5-24(19)34-17-23-22-11-13-37-27(22)10-12-31(23)28(32)16-30(15-20-6-7-20)29(33)21-8-9-25-26(14-21)36-18-35-25/h2-5,8-9,11,13-14,20,23H,6-7,10,12,15-18H2,1H3/t23-/m0/s1

InChI Key

OTTGAPUBZMTDMO-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19867279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.318

Distribution Coefficient, logD

5.318

Water Solubility, LogSw

-5.42

Polar Surface Area

57.740

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

References: we are preparing a list of scientific research reports with V017-4344 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V017-4344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4344
  • 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 V017-4344 available by request