4083-0047 Screening compound: 3-amino-N~2~-(3,4-dichlorophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide

4083-0047 Screening compound: 3-amino-N~2~-(3,4-dichlorophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
4083-0047 Screening compound: 3-amino-N~2~-(3,4-dichlorophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4083-0047
3-amino-N~2~-(3,4-dichlorophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-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

4083-0047

Molecular Formula

C17H13Cl2N3OS (C17 H13 Cl2 N3 OS)

Compound Name

3-amino-N~2~-(3,4-dichlorophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide

IUPAC name

6-amino-N-(34-dichlorophenyl)-4-thia-2-azatricyclo[7.3.0.0^{37}]dodeca-13(7)58-tetraene-5-carboxamide

SMILES

Nc1c(C(Nc(cc2)cc(Cl)c2Cl)=O)sc2c1cc(CCC1)c1n2

InChI

InChI=1S/C17H13Cl2N3OS/c18-11-5-4-9(7-12(11)19)21-16(23)15-14(20)10-6-8-2-1-3-13(8)22-17(10)24-15/h4-7H,1-3,20H2,(H,21,23)

InChI Key

SRPVYSOHTUWFBR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.165

Distribution Coefficient, logD

5.141

Water Solubility, LogSw

-5.67

Polar Surface Area

54.224

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 4083-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4083-0047?
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What is the minimum amount of 4083-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4083-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4083-0047
  • 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 4083-0047 available by request