3368-0281 Screening compound: 8-ethyl-5-oxo-2-(4-{[(pyridin-3-yl)formamido]methanethioyl}piperazin-1-yl)-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid

3368-0281 Screening compound: 8-ethyl-5-oxo-2-(4-{[(pyridin-3-yl)formamido]methanethioyl}piperazin-1-yl)-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
3368-0281 Screening compound: 8-ethyl-5-oxo-2-(4-{[(pyridin-3-yl)formamido]methanethioyl}piperazin-1-yl)-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3368-0281
8-ethyl-5-oxo-2-(4-{[(pyridin-3-yl)formamido]methanethioyl}piperazin-1-yl)-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

3368-0281

Molecular Formula

C21H21N7O4S (C21 H21 N7 O4 S)

Compound Name

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

IUPAC name

8-ethyl-5-oxo-2-(4-{[(pyridin-3-yl)formamido]methanethioyl}piperazin-1-yl)-5H8H-pyrido[23-d]pyrimidine-6-carboxylic acid

SMILES

CCN(C=C1C(O)=O)c(nc(N(CC2)CCN2C(NC(c2cnccc2)=O)=S)nc2)c2C1=O

InChI

InChI=1S/C21H21N7O4S/c1-2-26-12-15(19(31)32)16(29)14-11-23-20(24-17(14)26)27-6-8-28(9-7-27)21(33)25-18(30)13-4-3-5-22-10-13/h3-5,10-12H,2,6-9H2,1H3,(H,31,32)(H,25,30,33)

InChI Key

JJOLMGHFOPKPAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01994203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.510

Distribution Coefficient, logD

-2.646

Water Solubility, LogSw

-1.83

Polar Surface Area

101.125

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3368-0281 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3368-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3368-0281?
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What is the minimum amount of 3368-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3368-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3368-0281
  • 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 3368-0281 available by request