8001-1313 Screening compound: 2,6-diamino-4-(2,4-dichlorophenyl)-4H-thiopyran-3,5-dicarbonitrile

8001-1313 Screening compound: 2,6-diamino-4-(2,4-dichlorophenyl)-4H-thiopyran-3,5-dicarbonitrile
8001-1313 Screening compound: 2,6-diamino-4-(2,4-dichlorophenyl)-4H-thiopyran-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1313
2,6-diamino-4-(2,4-dichlorophenyl)-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

8001-1313

Molecular Formula

C13H8Cl2N4S (C13 H8 Cl2 N4 S)

Compound Name

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

IUPAC name

26-diamino-4-(24-dichlorophenyl)-4H-thiopyran-35-dicarbonitrile

SMILES

NC(SC(N)=C(C1c(ccc(Cl)c2)c2Cl)C#N)=C1C#N

InChI

InChI=1S/C13H8Cl2N4S/c14-6-1-2-7(10(15)3-6)11-8(4-16)12(18)20-13(19)9(11)5-17/h1-3,11H,18-19H2

InChI Key

UCZLQKLKULSPQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00486960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.152

Distribution Coefficient, logD

3.152

Water Solubility, LogSw

-3.48

Polar Surface Area

74.422

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

8001-1313 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8001-1313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1313?
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What is the minimum amount of 8001-1313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1313
  • 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 8001-1313 available by request