G539-0034 Screening compound: N~2~-(3-methylphenyl)-1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carboxamide

G539-0034 Screening compound: N~2~-(3-methylphenyl)-1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carboxamide
G539-0034 Screening compound: N~2~-(3-methylphenyl)-1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G539-0034
N~2~-(3-methylphenyl)-1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-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

G539-0034

Molecular Formula

C25H26N2OS (C25 H26 N2 OS)

Compound Name

N~2~-(3-methylphenyl)-1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carboxamide

IUPAC name

N-(3-methylphenyl)-6-phenyl-8-thia-5-azatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-5-carboxamide

SMILES

Cc1cccc(NC(N(CCc2c3sc4c2CCCC4)C3c2ccccc2)=O)c1

InChI

InChI=1S/C25H26N2OS/c1-17-8-7-11-19(16-17)26-25(28)27-15-14-21-20-12-5-6-13-22(20)29-24(21)23(27)18-9-3-2-4-10-18/h2-4,7-11,16,23H,5-6,12-15H2,1H3,(H,26,28)/t23-/m1/s1

InChI Key

UHMXSWMBBJOBDB-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD15017330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.56

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.727

Distribution Coefficient, logD

6.727

Water Solubility, LogSw

-5.58

Polar Surface Area

25.621

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with G539-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G539-0034?
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What is the minimum amount of G539-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G539-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G539-0034
  • 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 G539-0034 available by request