5050-0044 Screening compound: octyl 3,6-diamino-5-cyanothieno[2,3-b]pyridine-2-carboxylate

5050-0044 Screening compound: octyl 3,6-diamino-5-cyanothieno[2,3-b]pyridine-2-carboxylate
5050-0044 Screening compound: octyl 3,6-diamino-5-cyanothieno[2,3-b]pyridine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5050-0044
octyl 3,6-diamino-5-cyanothieno[2,3-b]pyridine-2-carboxylate

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

5050-0044

Molecular Formula

C17H22N4O2S (C17 H22 N4 O2 S)

Compound Name

octyl 3,6-diamino-5-cyanothieno[2,3-b]pyridine-2-carboxylate

IUPAC name

octyl 36-diamino-5-cyanothieno[23-b]pyridine-2-carboxylate

SMILES

CCCCCCCCOC(c(sc(c1c2)nc(N)c2C#N)c1N)=O

InChI

InChI=1S/C17H22N4O2S/c1-2-3-4-5-6-7-8-23-17(22)14-13(19)12-9-11(10-18)15(20)21-16(12)24-14/h9H,2-8,19H2,1H3,(H2,20,21)

InChI Key

JJCVALVGDACFQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00689757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.649

Distribution Coefficient, logD

4.649

Water Solubility, LogSw

-4.62

Polar Surface Area

88.146

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

References: we are preparing a list of scientific research reports with 5050-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5050-0044?
Check Price and Availability of 5050-0044, 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 5050-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5050-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5050-0044
  • 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 5050-0044 available by request