G535-0276 Screening compound: ethyl 4-(2-{3-ethyl-2-methyl-7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-6-yl}acetamido)benzoate

G535-0276 Screening compound: ethyl 4-(2-{3-ethyl-2-methyl-7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-6-yl}acetamido)benzoate
G535-0276 Screening compound: ethyl 4-(2-{3-ethyl-2-methyl-7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-6-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G535-0276
ethyl 4-(2-{3-ethyl-2-methyl-7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-6-yl}acetamido)benzoate

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

G535-0276

Molecular Formula

C27H30N2O3S (C27 H30 N2 O3 S)

Compound Name

ethyl 4-(2-{3-ethyl-2-methyl-7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-6-yl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{3-ethyl-2-methyl-7-phenyl-4H5H6H7H-thieno[23-c]pyridin-6-yl}acetamido)benzoate

SMILES

CCc1c(C)sc2c1CCN(CC(Nc(cc1)ccc1C(OCC)=O)=O)C2c1ccccc1

InChI

InChI=1S/C27H30N2O3S/c1-4-22-18(3)33-26-23(22)15-16-29(25(26)19-9-7-6-8-10-19)17-24(30)28-21-13-11-20(12-14-21)27(31)32-5-2/h6-14,25H,4-5,15-17H2,1-3H3,(H,28,30)/t25-/m1/s1

InChI Key

ACDNLIDMTDRGHJ-RUZDIDTESA-N

MDL Number (MFCD)

MFCD15017033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.691

Distribution Coefficient, logD

6.647

Water Solubility, LogSw

-5.75

Polar Surface Area

48.033

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

G535-0276 in Drug Discovery

Included in Screening Libraries

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 G535-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G535-0276?
Check Price and Availability of G535-0276, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G535-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G535-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G535-0276
  • 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 G535-0276 available by request