6773-1654 Screening compound: 2,6-diamino-4-(4-methoxynaphthalen-1-yl)-4H-thiopyran-3,5-dicarbonitrile

6773-1654 Screening compound: 2,6-diamino-4-(4-methoxynaphthalen-1-yl)-4H-thiopyran-3,5-dicarbonitrile
6773-1654 Screening compound: 2,6-diamino-4-(4-methoxynaphthalen-1-yl)-4H-thiopyran-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6773-1654
2,6-diamino-4-(4-methoxynaphthalen-1-yl)-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

6773-1654

Molecular Formula

C18H14N4OS (C18 H14 N4 OS)

Compound Name

2,6-diamino-4-(4-methoxynaphthalen-1-yl)-4H-thiopyran-3,5-dicarbonitrile

IUPAC name

26-diamino-4-(4-methoxynaphthalen-1-yl)-4H-thiopyran-35-dicarbonitrile

SMILES

COc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)c2ccccc12

InChI

InChI=1S/C18H14N4OS/c1-23-15-7-6-12(10-4-2-3-5-11(10)15)16-13(8-19)17(21)24-18(22)14(16)9-20/h2-7,16H,21-22H2,1H3

InChI Key

JMZQNQYTQVPJHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01799055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.910

Distribution Coefficient, logD

2.910

Water Solubility, LogSw

-3.22

Polar Surface Area

81.781

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

6773-1654 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 6773-1654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6773-1654?
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What is the minimum amount of 6773-1654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6773-1654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6773-1654
  • 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 6773-1654 available by request