G539-0591 Screening compound: ethyl 2-{[3-ethyl-7-(4-methoxyphenyl)-2-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carbonyl]amino}benzoate

G539-0591 Screening compound: ethyl 2-{[3-ethyl-7-(4-methoxyphenyl)-2-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carbonyl]amino}benzoate
G539-0591 Screening compound: ethyl 2-{[3-ethyl-7-(4-methoxyphenyl)-2-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G539-0591
ethyl 2-{[3-ethyl-7-(4-methoxyphenyl)-2-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carbonyl]amino}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

G539-0591

Molecular Formula

C27H30N2O4S (C27 H30 N2 O4 S)

Compound Name

ethyl 2-{[3-ethyl-7-(4-methoxyphenyl)-2-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carbonyl]amino}benzoate

IUPAC name

ethyl 2-{[3-ethyl-7-(4-methoxyphenyl)-2-methyl-4H5H6H7H-thieno[23-c]pyridine-6-carbonyl]amino}benzoate

SMILES

CCc1c(C)sc(C2c(cc3)ccc3OC)c1CCN2C(Nc(cccc1)c1C(OCC)=O)=O

InChI

InChI=1S/C27H30N2O4S/c1-5-20-17(3)34-25-21(20)15-16-29(24(25)18-11-13-19(32-4)14-12-18)27(31)28-23-10-8-7-9-22(23)26(30)33-6-2/h7-14,24H,5-6,15-16H2,1-4H3,(H,28,31)/t24-/m1/s1

InChI Key

SXFBOLNPORIKCZ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD15017398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.040

Distribution Coefficient, logD

7.039

Water Solubility, LogSw

-5.78

Polar Surface Area

53.300

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with G539-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G539-0591?
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What is the minimum amount of G539-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G539-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G539-0591
  • 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 G539-0591 available by request