G520-0045 Screening compound: methyl 2-[(4,5-dihydrothieno[2,3-e][1]benzothiophen-2-ylcarbonyl)amino]benzoate

G520-0045 Screening compound: methyl 2-[(4,5-dihydrothieno[2,3-e][1]benzothiophen-2-ylcarbonyl)amino]benzoate
G520-0045 Screening compound: methyl 2-[(4,5-dihydrothieno[2,3-e][1]benzothiophen-2-ylcarbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G520-0045
methyl 2-[(4,5-dihydrothieno[2,3-e][1]benzothiophen-2-ylcarbonyl)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

G520-0045

Molecular Formula

C19H15NO3S2 (C19 H15 NO3 S2)

Compound Name

methyl 2-[(4,5-dihydrothieno[2,3-e][1]benzothiophen-2-ylcarbonyl)amino]benzoate

IUPAC name

methyl 2-{310-dithiatricyclo[7.3.0.0^{26}]dodeca-1(9)2(6)411-tetraene-4-amido}benzoate

SMILES

COC(c(cccc1)c1NC(c1cc(CCc2c-3ccs2)c3s1)=O)=O

InChI

InChI=1S/C19H15NO3S2/c1-23-19(22)12-4-2-3-5-14(12)20-18(21)16-10-11-6-7-15-13(8-9-24-15)17(11)25-16/h2-5,8-10H,6-7H2,1H3,(H,20,21)

InChI Key

UEGGCTXFHGMBIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15015355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.962

Distribution Coefficient, logD

4.950

Water Solubility, LogSw

-4.62

Polar Surface Area

45.491

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

G520-0045 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G520-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G520-0045?
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What is the minimum amount of G520-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G520-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G520-0045
  • 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 G520-0045 available by request