4296-0629 Screening compound: 3,6-diamino-N-(4-chloro-2,5-dimethoxyphenyl)-5-cyano-4-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

4296-0629 Screening compound: 3,6-diamino-N-(4-chloro-2,5-dimethoxyphenyl)-5-cyano-4-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
4296-0629 Screening compound: 3,6-diamino-N-(4-chloro-2,5-dimethoxyphenyl)-5-cyano-4-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0629
3,6-diamino-N-(4-chloro-2,5-dimethoxyphenyl)-5-cyano-4-(3,4-dimethoxyphenyl)thieno[2,3-b]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

4296-0629

Molecular Formula

C25H22ClN5O5S (C25 H22 ClN5 O5 S)

Compound Name

3,6-diamino-N-(4-chloro-2,5-dimethoxyphenyl)-5-cyano-4-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

IUPAC name

36-diamino-N-(4-chloro-25-dimethoxyphenyl)-5-cyano-4-(34-dimethoxyphenyl)thieno[23-b]pyridine-2-carboxamide

SMILES

COc(ccc(-c(c1c(nc2N)sc(C(Nc(c(OC)c3)cc(OC)c3Cl)=O)c1N)c2C#N)c1)c1OC

InChI

InChI=1S/C25H22ClN5O5S/c1-33-15-6-5-11(7-18(15)36-4)19-12(10-27)23(29)31-25-20(19)21(28)22(37-25)24(32)30-14-9-16(34-2)13(26)8-17(14)35-3/h5-9H,28H2,1-4H3,(H2,29,31)(H,30,32)

InChI Key

WLKSAMAOSHOZNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03000332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.854

Distribution Coefficient, logD

3.789

Water Solubility, LogSw

-4.80

Polar Surface Area

119.741

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

4296-0629 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4296-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0629?
Check Price and Availability of 4296-0629, 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 4296-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0629
  • 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 4296-0629 available by request