C712-1253 Screening compound: 2-(diethylamino)ethyl 4-{4H-thieno[3,2-c]chromene-2-amido}benzoate

C712-1253 Screening compound: 2-(diethylamino)ethyl 4-{4H-thieno[3,2-c]chromene-2-amido}benzoate
C712-1253 Screening compound: 2-(diethylamino)ethyl 4-{4H-thieno[3,2-c]chromene-2-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-1253
2-(diethylamino)ethyl 4-{4H-thieno[3,2-c]chromene-2-amido}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

C712-1253

Molecular Formula

C25H26N2O4S (C25 H26 N2 O4 S)

Compound Name

2-(diethylamino)ethyl 4-{4H-thieno[3,2-c]chromene-2-amido}benzoate

IUPAC name

2-(diethylamino)ethyl 4-{4H-thieno[32-c]chromene-2-amido}benzoate

SMILES

CCN(CC)CCOC(c(cc1)ccc1NC(c1cc(COc2c-3cccc2)c3s1)=O)=O

InChI

InChI=1S/C25H26N2O4S/c1-3-27(4-2)13-14-30-25(29)17-9-11-19(12-10-17)26-24(28)22-15-18-16-31-21-8-6-5-7-20(21)23(18)32-22/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,26,28)

InChI Key

MKVVCCLWFPHCKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09081743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.290

Distribution Coefficient, logD

4.321

Water Solubility, LogSw

-5.24

Polar Surface Area

56.905

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C712-1253 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Lipid Metabolism Library (9174 compounds)

SH2 Library (10483 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C712-1253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-1253?
Check Price and Availability of C712-1253, 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 C712-1253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-1253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-1253
  • 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 C712-1253 available by request