2368-0412 Screening compound: 2-chloro-4-(5-{[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid

2368-0412 Screening compound: 2-chloro-4-(5-{[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
2368-0412 Screening compound: 2-chloro-4-(5-{[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0412
2-chloro-4-(5-{[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic 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

2368-0412

Molecular Formula

C23H15ClN2O6 (C23 H15 ClN2 O6)

Compound Name

2-chloro-4-(5-{[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid

IUPAC name

2-chloro-4-(5-{[(5Z)-1-(4-methylphenyl)-246-trioxo-13-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

Cc(cc1)ccc1N(C(/C(/C(N1)=O)=C\c2ccc(-c(cc3)cc(Cl)c3C(O)=O)o2)=O)C1=O

InChI

InChI=1S/C23H15ClN2O6/c1-12-2-5-14(6-3-12)26-21(28)17(20(27)25-23(26)31)11-15-7-9-19(32-15)13-4-8-16(22(29)30)18(24)10-13/h2-11H,1H3,(H,29,30)(H,25,27,31)

InChI Key

SJUSNSIEIKNHNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.83

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.080

Distribution Coefficient, logD

-0.565

Water Solubility, LogSw

-4.38

Polar Surface Area

89.369

Acid Dissociation Constant (pKa)

2.75

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

2368-0412 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 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

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2368-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0412?
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What is the minimum amount of 2368-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0412
  • 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 2368-0412 available by request