6425-0030 Screening compound: 2-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid

6425-0030 Screening compound: 2-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
6425-0030 Screening compound: 2-{4-[(2-bromo-4-methylphenyl)carbamothioyl]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 6425-0030
2-{4-[(2-bromo-4-methylphenyl)carbamothioyl]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

6425-0030

Molecular Formula

C22H23BrN6O3S (C22 H23 BrN6 O3 S)

Compound Name

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

IUPAC name

2-{4-[(2-bromo-4-methylphenyl)carbamothioyl]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(Nc(ccc(C)c2)c2Br)=S)nc2)c2C1=O

InChI

InChI=1S/C22H23BrN6O3S/c1-3-27-12-15(20(31)32)18(30)14-11-24-21(26-19(14)27)28-6-8-29(9-7-28)22(33)25-17-5-4-13(2)10-16(17)23/h4-5,10-12H,3,6-9H2,1-2H3,(H,25,33)(H,31,32)

InChI Key

QOXMPRQRUNXTAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03293169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.43

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

2.440

Distribution Coefficient, logD

0.303

Water Solubility, LogSw

-2.85

Polar Surface Area

76.731

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

6425-0030 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6425-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6425-0030?
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What is the minimum amount of 6425-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6425-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6425-0030
  • 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 6425-0030 available by request