3368-0273 Screening compound: 2-(4-{[(4-bromophenyl)formamido]methanethioyl}piperazin-1-yl)-8-ethyl-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid

3368-0273 Screening compound: 2-(4-{[(4-bromophenyl)formamido]methanethioyl}piperazin-1-yl)-8-ethyl-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
3368-0273 Screening compound: 2-(4-{[(4-bromophenyl)formamido]methanethioyl}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 3368-0273
2-(4-{[(4-bromophenyl)formamido]methanethioyl}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

3368-0273

Molecular Formula

C22H21BrN6O4S (C22 H21 BrN6 O4 S)

Compound Name

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

IUPAC name

2-(4-{[(4-bromophenyl)formamido]methanethioyl}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(c(cc2)ccc2Br)=O)=S)nc2)c2C1=O

InChI

InChI=1S/C22H21BrN6O4S/c1-2-27-12-16(20(32)33)17(30)15-11-24-21(25-18(15)27)28-7-9-29(10-8-28)22(34)26-19(31)13-3-5-14(23)6-4-13/h3-6,11-12H,2,7-10H2,1H3,(H,32,33)(H,26,31,34)

InChI Key

ZPEHJCWXZLGXEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01994195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.512

Distribution Coefficient, logD

-0.624

Water Solubility, LogSw

-2.55

Polar Surface Area

91.607

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

3368-0273 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3368-0273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3368-0273?
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What is the minimum amount of 3368-0273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3368-0273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3368-0273
  • 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 3368-0273 available by request