V002-3139 Screening compound: 2-chloro-N-(2-furylmethyl)-N-{2-[4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}benzamide

V002-3139 Screening compound: 2-chloro-N-(2-furylmethyl)-N-{2-[4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}benzamide
V002-3139 Screening compound: 2-chloro-N-(2-furylmethyl)-N-{2-[4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-3139
2-chloro-N-(2-furylmethyl)-N-{2-[4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}benzamide

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

V002-3139

Molecular Formula

C29H27ClN2O4S (C29 H27 ClN2 O4 S)

Compound Name

2-chloro-N-(2-furylmethyl)-N-{2-[4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}benzamide

IUPAC name

2-chloro-N-[(furan-2-yl)methyl]-N-(2-{4-[(4-methylphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)benzamide

SMILES

Cc(cc1)ccc1OCC(c1c(CC2)scc1)N2C(CN(Cc1ccco1)C(c(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C29H27ClN2O4S/c1-20-8-10-21(11-9-20)36-19-26-24-13-16-37-27(24)12-14-32(26)28(33)18-31(17-22-5-4-15-35-22)29(34)23-6-2-3-7-25(23)30/h2-11,13,15-16,26H,12,14,17-19H2,1H3/t26-/m0/s1

InChI Key

LKOUPIYXNBKQCC-SANMLTNESA-N

MDL Number (MFCD)

MFCD19866321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.702

Distribution Coefficient, logD

5.702

Water Solubility, LogSw

-5.78

Polar Surface Area

47.763

Acid Dissociation Constant (pKa)

22.16

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.14

References: we are preparing a list of scientific research reports with V002-3139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-3139?
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What is the minimum amount of V002-3139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-3139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-3139
  • 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 V002-3139 available by request