3636-0532 Screening compound: 2-(4-{[(5E)-1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid

3636-0532 Screening compound: 2-(4-{[(5E)-1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
3636-0532 Screening compound: 2-(4-{[(5E)-1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3636-0532
2-(4-{[(5E)-1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic 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

3636-0532

Molecular Formula

C20H14Cl2N2O6 (C20 H14 Cl2 N2 O6)

Compound Name

2-(4-{[(5E)-1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid

IUPAC name

2-(4-{[(5E)-1-(24-dichlorophenyl)-246-trioxo-13-diazinan-5-ylidene]methyl}phenoxy)propanoic acid

SMILES

CC(C(O)=O)Oc1ccc(/C=C(\C(NC(N2c(ccc(Cl)c3)c3Cl)=O)=O)/C2=O)cc1

InChI

InChI=1S/C20H14Cl2N2O6/c1-10(19(27)28)30-13-5-2-11(3-6-13)8-14-17(25)23-20(29)24(18(14)26)16-7-4-12(21)9-15(16)22/h2-10H,1H3,(H,27,28)(H,23,25,29)/t10-/m0/s1

InChI Key

QBNRXLOFIVAIOK-JTQLQIEISA-N

MDL Number (MFCD)

MFCD02602819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.25

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.281

Distribution Coefficient, logD

-0.718

Water Solubility, LogSw

-3.60

Polar Surface Area

88.287

Acid Dissociation Constant (pKa)

3.40

Base Dissociation Constant (pKb)

-8.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

3636-0532 in Drug Discovery

Included in Screening Libraries

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 3636-0532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3636-0532?
Check Price and Availability of 3636-0532, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3636-0532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3636-0532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3636-0532
  • 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 3636-0532 available by request