8013-1296 Screening compound: 8-ethyl-2-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid

8013-1296 Screening compound: 8-ethyl-2-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
8013-1296 Screening compound: 8-ethyl-2-(4-{[4-(methoxycarbonyl)phenyl]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 8013-1296
8-ethyl-2-(4-{[4-(methoxycarbonyl)phenyl]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

8013-1296

Molecular Formula

C23H24N6O5S (C23 H24 N6 O5 S)

Compound Name

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

IUPAC name

8-ethyl-2-(4-{[4-(methoxycarbonyl)phenyl]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(Nc(cc2)ccc2C(OC)=O)=S)nc2)c2C1=O

InChI

InChI=1S/C23H24N6O5S/c1-3-27-13-17(20(31)32)18(30)16-12-24-22(26-19(16)27)28-8-10-29(11-9-28)23(35)25-15-6-4-14(5-7-15)21(33)34-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,25,35)(H,31,32)

InChI Key

UFKDJDJWDZMNEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03301280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.405

Distribution Coefficient, logD

-0.731

Water Solubility, LogSw

-2.52

Polar Surface Area

98.602

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

8013-1296 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8013-1296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1296?
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What is the minimum amount of 8013-1296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1296
  • 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 8013-1296 available by request