6773-1143 Screening compound: (8E)-2-amino-4-[4-(methylsulfanyl)phenyl]-8-{[4-(methylsulfanyl)phenyl]methylidene}-6-propyl-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile

6773-1143 Screening compound: (8E)-2-amino-4-[4-(methylsulfanyl)phenyl]-8-{[4-(methylsulfanyl)phenyl]methylidene}-6-propyl-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile
6773-1143 Screening compound: (8E)-2-amino-4-[4-(methylsulfanyl)phenyl]-8-{[4-(methylsulfanyl)phenyl]methylidene}-6-propyl-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6773-1143
(8E)-2-amino-4-[4-(methylsulfanyl)phenyl]-8-{[4-(methylsulfanyl)phenyl]methylidene}-6-propyl-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile

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

6773-1143

Molecular Formula

C27H29N3OS2 (C27 H29 N3 OS2)

Compound Name

(8E)-2-amino-4-[4-(methylsulfanyl)phenyl]-8-{[4-(methylsulfanyl)phenyl]methylidene}-6-propyl-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile

IUPAC name

(8E)-2-amino-4-[4-(methylsulfanyl)phenyl]-8-{[4-(methylsulfanyl)phenyl]methylidene}-6-propyl-4H5H6H7H8H-pyrano[32-c]pyridine-3-carbonitrile

SMILES

CCCN(CC(C1c(cc2)ccc2SC)=C2OC(N)=C1C#N)C/C2=C\c(cc1)ccc1SC

InChI

InChI=1S/C27H29N3OS2/c1-4-13-30-16-20(14-18-5-9-21(32-2)10-6-18)26-24(17-30)25(23(15-28)27(29)31-26)19-7-11-22(33-3)12-8-19/h5-12,14,25H,4,13,16-17,29H2,1-3H3/t25-/m1/s1

InChI Key

RMDXCEMHNIWKNP-RUZDIDTESA-N

MDL Number (MFCD)

MFCD01605159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.577

Distribution Coefficient, logD

5.577

Water Solubility, LogSw

-5.58

Polar Surface Area

50.356

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

6773-1143 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 6773-1143 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 6773-1143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6773-1143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6773-1143
  • 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 6773-1143 available by request