8017-8586 Screening compound: 2-{[(2-amino-4,6-dimethylthieno[2,3-b]pyridin-3-yl)imino]methyl}phenol

8017-8586 Screening compound: 2-{[(2-amino-4,6-dimethylthieno[2,3-b]pyridin-3-yl)imino]methyl}phenol
8017-8586 Screening compound: 2-{[(2-amino-4,6-dimethylthieno[2,3-b]pyridin-3-yl)imino]methyl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8586
2-{[(2-amino-4,6-dimethylthieno[2,3-b]pyridin-3-yl)imino]methyl}phenol

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

8017-8586

Molecular Formula

C16H15N3OS (C16 H15 N3 OS)

Compound Name

2-{[(2-amino-4,6-dimethylthieno[2,3-b]pyridin-3-yl)imino]methyl}phenol

IUPAC name

2-[(E)-({2-amino-46-dimethylthieno[23-b]pyridin-3-yl}imino)methyl]phenol

SMILES

Cc1c(c(/N=C/c(cccc2)c2O)c(N)s2)c2nc(C)c1

InChI

InChI=1S/C16H15N3OS/c1-9-7-10(2)19-16-13(9)14(15(17)21-16)18-8-11-5-3-4-6-12(11)20/h3-8,20H,17H2,1-2H3

InChI Key

DDQRQXTVUUBSQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.507

Distribution Coefficient, logD

3.475

Water Solubility, LogSw

-3.68

Polar Surface Area

53.303

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8017-8586 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 8017-8586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8586?
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What is the minimum amount of 8017-8586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8586
  • 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 8017-8586 available by request