8008-8151 Screening compound: 3,6-diamino-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile

8008-8151 Screening compound: 3,6-diamino-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
8008-8151 Screening compound: 3,6-diamino-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8151
3,6-diamino-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile

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

8008-8151

Molecular Formula

C18H15N5O3S (C18 H15 N5 O3 S)

Compound Name

3,6-diamino-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile

IUPAC name

36-diamino-4-(345-trimethoxyphenyl)thieno[23-b]pyridine-25-dicarbonitrile

SMILES

COc1cc(-c2c(c(N)c(C#N)s3)c3nc(N)c2C#N)cc(OC)c1OC

InChI

InChI=1S/C18H15N5O3S/c1-24-10-4-8(5-11(25-2)16(10)26-3)13-9(6-19)17(22)23-18-14(13)15(21)12(7-20)27-18/h4-5H,21H2,1-3H3,(H2,22,23)

InChI Key

CDIYHUAYAZHYPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01142323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.303

Distribution Coefficient, logD

2.303

Water Solubility, LogSw

-2.47

Polar Surface Area

106.861

Acid Dissociation Constant (pKa)

17.54

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8008-8151 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 8008-8151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8151?
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What is the minimum amount of 8008-8151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8151
  • 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 8008-8151 available by request