2237-1900 Screening compound: prop-2-en-1-yl 2-chloro-5-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate

2237-1900 Screening compound: prop-2-en-1-yl 2-chloro-5-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
2237-1900 Screening compound: prop-2-en-1-yl 2-chloro-5-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2237-1900
prop-2-en-1-yl 2-chloro-5-{5-[(4,6-dioxo-2-sulfanylidene-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

2237-1900

Molecular Formula

C19H13ClN2O5S (C19 H13 ClN2 O5 S)

Compound Name

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

IUPAC name

prop-2-en-1-yl 2-chloro-5-{5-[(46-dioxo-2-sulfanylidene-13-diazinan-5-ylidene)methyl]furan-2-yl}benzoate

SMILES

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

InChI

InChI=1S/C19H13ClN2O5S/c1-2-7-26-18(25)12-8-10(3-5-14(12)20)15-6-4-11(27-15)9-13-16(23)21-19(28)22-17(13)24/h2-6,8-9H,1,7H2,(H2,21,22,23,24,28)

InChI Key

GFGZLIYKFSAOJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.84

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.274

Distribution Coefficient, logD

3.836

Water Solubility, LogSw

-4.66

Polar Surface Area

78.243

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

-10.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with 2237-1900 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2237-1900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2237-1900
  • 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 2237-1900 available by request