C712-1310 Screening compound: ethyl 2-({4H-thieno[3,2-c]chromen-2-yl}formamido)propanoate

C712-1310 Screening compound: ethyl 2-({4H-thieno[3,2-c]chromen-2-yl}formamido)propanoate
C712-1310 Screening compound: ethyl 2-({4H-thieno[3,2-c]chromen-2-yl}formamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-1310
ethyl 2-({4H-thieno[3,2-c]chromen-2-yl}formamido)propanoate

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

C712-1310

Molecular Formula

C17H17NO4S (C17 H17 NO4 S)

Compound Name

ethyl 2-({4H-thieno[3,2-c]chromen-2-yl}formamido)propanoate

IUPAC name

ethyl 2-({4H-thieno[32-c]chromen-2-yl}formamido)propanoate

SMILES

CCOC(C(C)NC(c1cc(COc2c-3cccc2)c3s1)=O)=O

InChI

InChI=1S/C17H17NO4S/c1-3-21-17(20)10(2)18-16(19)14-8-11-9-22-13-7-5-4-6-12(13)15(11)23-14/h4-8,10H,3,9H2,1-2H3,(H,18,19)/t10-/m0/s1

InChI Key

KJQYOPDTMRHLQJ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD14787351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.163

Distribution Coefficient, logD

3.163

Water Solubility, LogSw

-3.63

Polar Surface Area

53.957

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

C712-1310 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C712-1310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-1310?
Check Price and Availability of C712-1310, 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 C712-1310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-1310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-1310
  • 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 C712-1310 available by request