8017-1213 Screening compound: 2-(3-fluoroanilino)-5,7-dihydroxythieno[3,2-b]pyridin-3-yl cyanide

8017-1213 Screening compound: 2-(3-fluoroanilino)-5,7-dihydroxythieno[3,2-b]pyridin-3-yl cyanide
8017-1213 Screening compound: 2-(3-fluoroanilino)-5,7-dihydroxythieno[3,2-b]pyridin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1213
2-(3-fluoroanilino)-5,7-dihydroxythieno[3,2-b]pyridin-3-yl cyanide

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

8017-1213

Molecular Formula

C14H8FN3O2S (C14 H8 FN3 O2 S)

Compound Name

2-(3-fluoroanilino)-5,7-dihydroxythieno[3,2-b]pyridin-3-yl cyanide

IUPAC name

2-[(3-fluorophenyl)amino]-57-dihydroxythieno[32-b]pyridine-3-carbonitrile

SMILES

N#Cc(c1nc(O)c2)c(Nc3cc(F)ccc3)sc1c2O

InChI

InChI=1S/C14H8FN3O2S/c15-7-2-1-3-8(4-7)17-14-9(6-16)12-13(21-14)10(19)5-11(20)18-12/h1-5,17H,(H2,18,19,20)

InChI Key

QUYUSYKRTLHZPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.013

Distribution Coefficient, logD

1.618

Water Solubility, LogSw

-3.04

Polar Surface Area

68.910

Acid Dissociation Constant (pKa)

6.02

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8017-1213 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-1213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1213?
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What is the minimum amount of 8017-1213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1213
  • 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 8017-1213 available by request