6425-0036 Screening compound: 8-ethyl-2-{4-[(naphthalen-1-yl)carbamothioyl]piperazin-1-yl}-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid

6425-0036 Screening compound: 8-ethyl-2-{4-[(naphthalen-1-yl)carbamothioyl]piperazin-1-yl}-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
6425-0036 Screening compound: 8-ethyl-2-{4-[(naphthalen-1-yl)carbamothioyl]piperazin-1-yl}-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6425-0036
8-ethyl-2-{4-[(naphthalen-1-yl)carbamothioyl]piperazin-1-yl}-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid

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

6425-0036

Molecular Formula

C25H24N6O3S (C25 H24 N6 O3 S)

Compound Name

8-ethyl-2-{4-[(naphthalen-1-yl)carbamothioyl]piperazin-1-yl}-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid

IUPAC name

8-ethyl-2-{4-[(naphthalen-1-yl)carbamothioyl]piperazin-1-yl}-5-oxo-5H8H-pyrido[23-d]pyrimidine-6-carboxylic acid

SMILES

CCN(C=C1C(O)=O)c(nc(N(CC2)CCN2C(Nc2cccc3ccccc23)=S)nc2)c2C1=O

InChI

InChI=1S/C25H24N6O3S/c1-2-29-15-19(23(33)34)21(32)18-14-26-24(28-22(18)29)30-10-12-31(13-11-30)25(35)27-20-9-5-7-16-6-3-4-8-17(16)20/h3-9,14-15H,2,10-13H2,1H3,(H,27,35)(H,33,34)

InChI Key

WDTLHAROMWRSEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03304237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.227

Distribution Coefficient, logD

0.091

Water Solubility, LogSw

-3.08

Polar Surface Area

76.459

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

6425-0036 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6425-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6425-0036?
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What is the minimum amount of 6425-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6425-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6425-0036
  • 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 6425-0036 available by request