8003-0388 Screening compound: 2,6-diamino-4-(5-methyl-2-furyl)-4H-thiopyran-3,5-dicarbonitrile

8003-0388 Screening compound: 2,6-diamino-4-(5-methyl-2-furyl)-4H-thiopyran-3,5-dicarbonitrile
8003-0388 Screening compound: 2,6-diamino-4-(5-methyl-2-furyl)-4H-thiopyran-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0388
2,6-diamino-4-(5-methyl-2-furyl)-4H-thiopyran-3,5-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

8003-0388

Molecular Formula

C12H10N4OS (C12 H10 N4 OS)

Compound Name

2,6-diamino-4-(5-methyl-2-furyl)-4H-thiopyran-3,5-dicarbonitrile

IUPAC name

26-diamino-4-(5-methylfuran-2-yl)-4H-thiopyran-35-dicarbonitrile

SMILES

Cc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)o1

InChI

InChI=1S/C12H10N4OS/c1-6-2-3-9(17-6)10-7(4-13)11(15)18-12(16)8(10)5-14/h2-3,10H,15-16H2,1H3

InChI Key

JNZMCRYQOSFSRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00742737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.303

Distribution Coefficient, logD

1.303

Water Solubility, LogSw

-1.90

Polar Surface Area

82.515

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8003-0388 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8003-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0388?
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What is the minimum amount of 8003-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0388
  • 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 8003-0388 available by request