2237-1898 Screening compound: prop-2-en-1-yl 2-chloro-5-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate

2237-1898 Screening compound: prop-2-en-1-yl 2-chloro-5-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
2237-1898 Screening compound: prop-2-en-1-yl 2-chloro-5-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2237-1898
prop-2-en-1-yl 2-chloro-5-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate

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

2237-1898

Molecular Formula

C19H13ClN2O6 (C19 H13 ClN2 O6)

Compound Name

prop-2-en-1-yl 2-chloro-5-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate

IUPAC name

prop-2-en-1-yl 2-chloro-5-{5-[(246-trioxo-13-diazinan-5-ylidene)methyl]furan-2-yl}benzoate

SMILES

C=CCOC(c(cc(cc1)-c2ccc(C=C(C(NC(N3)=O)=O)C3=O)o2)c1Cl)=O

InChI

InChI=1S/C19H13ClN2O6/c1-2-7-27-18(25)12-8-10(3-5-14(12)20)15-6-4-11(28-15)9-13-16(23)21-19(26)22-17(13)24/h2-6,8-9H,1,7H2,(H2,21,22,23,24,26)

InChI Key

PZQZLYDWFCOOCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.77

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.178

Distribution Coefficient, logD

2.820

Water Solubility, LogSw

-3.97

Polar Surface Area

91.261

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

2237-1898 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 2237-1898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2237-1898?
Check Price and Availability of 2237-1898, 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 2237-1898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2237-1898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2237-1898
  • 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 2237-1898 available by request