C712-0109 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

C712-0109 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
C712-0109 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-0109
N-[3-(2-ethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-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

C712-0109

Molecular Formula

C23H30N2O2S (C23 H30 N2 O2 S)

Compound Name

N-[3-(2-ethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

IUPAC name

N-[3-(2-ethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[32-c]chromene-2-carboxamide

SMILES

CCC1N(CCCNC(c2cc(COc3c-4c(C)ccc3)c4s2)=O)CCCC1

InChI

InChI=1S/C23H30N2O2S/c1-3-18-9-4-5-12-25(18)13-7-11-24-23(26)20-14-17-15-27-19-10-6-8-16(2)21(19)22(17)28-20/h6,8,10,14,18H,3-5,7,9,11-13,15H2,1-2H3,(H,24,26)/t18-/m0/s1

InChI Key

SNPZAPUHUAJKBU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14787033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.290

Distribution Coefficient, logD

1.423

Water Solubility, LogSw

-4.28

Polar Surface Area

37.404

Acid Dissociation Constant (pKa)

15.86

Base Dissociation Constant (pKb)

10.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

C712-0109 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 C712-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-0109?
Check Price and Availability of C712-0109, 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 C712-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-0109
  • 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 C712-0109 available by request