G535-0245 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{3-ethyl-2-methyl-7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-6-yl}acetamide

G535-0245 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{3-ethyl-2-methyl-7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-6-yl}acetamide
G535-0245 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{3-ethyl-2-methyl-7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G535-0245
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{3-ethyl-2-methyl-7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-6-yl}acetamide

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

G535-0245

Molecular Formula

C26H34N2OS (C26 H34 N2 OS)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{3-ethyl-2-methyl-7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-6-yl}acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{3-ethyl-2-methyl-7-phenyl-4H5H6H7H-thieno[23-c]pyridin-6-yl}acetamide

SMILES

CCc1c(C)sc2c1CCN(CC(NCCC1=CCCCC1)=O)C2c1ccccc1

InChI

InChI=1S/C26H34N2OS/c1-3-22-19(2)30-26-23(22)15-17-28(25(26)21-12-8-5-9-13-21)18-24(29)27-16-14-20-10-6-4-7-11-20/h5,8-10,12-13,25H,3-4,6-7,11,14-18H2,1-2H3,(H,27,29)/t25-/m1/s1

InChI Key

KDFGBMSQPFATFH-RUZDIDTESA-N

MDL Number (MFCD)

MFCD15017021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.812

Distribution Coefficient, logD

5.674

Water Solubility, LogSw

-5.36

Polar Surface Area

28.635

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

6.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

G535-0245 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 G535-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G535-0245?
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What is the minimum amount of G535-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G535-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G535-0245
  • 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 G535-0245 available by request