6425-0103 Screening compound: 2-[4-(benzylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid

6425-0103 Screening compound: 2-[4-(benzylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
6425-0103 Screening compound: 2-[4-(benzylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6425-0103
2-[4-(benzylcarbamothioyl)piperazin-1-yl]-8-ethyl-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

6425-0103

Molecular Formula

C22H24N6O3S (C22 H24 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(C=C1C(O)=O)c(nc(N(CC2)CCN2C(NCc2ccccc2)=S)nc2)c2C1=O

InChI

InChI=1S/C22H24N6O3S/c1-2-26-14-17(20(30)31)18(29)16-13-23-21(25-19(16)26)27-8-10-28(11-9-27)22(32)24-12-15-6-4-3-5-7-15/h3-7,13-14H,2,8-12H2,1H3,(H,24,32)(H,30,31)

InChI Key

UDRRGBFZEJEKKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03695282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.881

Distribution Coefficient, logD

-1.255

Water Solubility, LogSw

-2.47

Polar Surface Area

78.751

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

6425-0103 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 6425-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6425-0103?
Check Price and Availability of 6425-0103, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6425-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6425-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6425-0103
  • 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 6425-0103 available by request