V012-3706 Screening compound: N~1~-{2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-N~1~-cyclopropyl-1-cyclopentanecarboxamide

V012-3706 Screening compound: N~1~-{2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-N~1~-cyclopropyl-1-cyclopentanecarboxamide
V012-3706 Screening compound: N~1~-{2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-N~1~-cyclopropyl-1-cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3706
N~1~-{2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-N~1~-cyclopropyl-1-cyclopentanecarboxamide

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

V012-3706

Molecular Formula

C25H29ClN2O3S (C25 H29 ClN2 O3 S)

Compound Name

N~1~-{2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-N~1~-cyclopropyl-1-cyclopentanecarboxamide

IUPAC name

N-(2-{4-[(4-chlorophenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-N-cyclopropylcyclopentanecarboxamide

SMILES

O=C(CN(C1CC1)C(C1CCCC1)=O)N(CC1)C(COc(cc2)ccc2Cl)c2c1scc2

InChI

InChI=1S/C25H29ClN2O3S/c26-18-5-9-20(10-6-18)31-16-22-21-12-14-32-23(21)11-13-27(22)24(29)15-28(19-7-8-19)25(30)17-3-1-2-4-17/h5-6,9-10,12,14,17,19,22H,1-4,7-8,11,13,15-16H2/t22-/m0/s1

InChI Key

LKWRAXXKKWIKEF-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19864849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.437

Distribution Coefficient, logD

5.437

Water Solubility, LogSw

-6.00

Polar Surface Area

40.149

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

V012-3706 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V012-3706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3706?
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What is the minimum amount of V012-3706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3706
  • 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 V012-3706 available by request