6773-0187 Screening compound: ethyl 3-cyano-6-ethyl-2-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate

6773-0187 Screening compound: ethyl 3-cyano-6-ethyl-2-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate
6773-0187 Screening compound: ethyl 3-cyano-6-ethyl-2-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6773-0187
ethyl 3-cyano-6-ethyl-2-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate

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

6773-0187

Molecular Formula

C23H26N4O4S (C23 H26 N4 O4 S)

Compound Name

ethyl 3-cyano-6-ethyl-2-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate

IUPAC name

ethyl 3-cyano-6-ethyl-2-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-5678-tetrahydro-16-naphthyridine-4-carboxylate

SMILES

CCN(CC1)Cc(c(C(OCC)=O)c2C#N)c1nc2SCC(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C23H26N4O4S/c1-4-27-11-10-19-18(13-27)21(23(29)31-5-2)17(12-24)22(26-19)32-14-20(28)25-15-6-8-16(30-3)9-7-15/h6-9H,4-5,10-11,13-14H2,1-3H3,(H,25,28)

InChI Key

RDTMUNNWUHQQAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01416746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.282

Distribution Coefficient, logD

3.075

Water Solubility, LogSw

-3.58

Polar Surface Area

82.109

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

6773-0187 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 6773-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6773-0187?
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What is the minimum amount of 6773-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6773-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6773-0187
  • 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 6773-0187 available by request