4299-0790 Screening compound: methyl 2-(2,6-dichloro-4-{[(5Z)-2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

4299-0790 Screening compound: methyl 2-(2,6-dichloro-4-{[(5Z)-2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
4299-0790 Screening compound: methyl 2-(2,6-dichloro-4-{[(5Z)-2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4299-0790
methyl 2-(2,6-dichloro-4-{[(5Z)-2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

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

4299-0790

Molecular Formula

C19H13Cl2NO5S (C19 H13 Cl2 NO5 S)

Compound Name

methyl 2-(2,6-dichloro-4-{[(5Z)-2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

IUPAC name

methyl 2-(26-dichloro-4-{[(5Z)-24-dioxo-3-phenyl-13-thiazolidin-5-ylidene]methyl}phenoxy)acetate

SMILES

COC(COc(c(Cl)cc(/C=C(/C(N1c2ccccc2)=O)\SC1=O)c1)c1Cl)=O

InChI

InChI=1S/C19H13Cl2NO5S/c1-26-16(23)10-27-17-13(20)7-11(8-14(17)21)9-15-18(24)22(19(25)28-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3

InChI Key

GQHPXRGKEGBAKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02629266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.554

Distribution Coefficient, logD

4.554

Water Solubility, LogSw

-4.63

Polar Surface Area

57.235

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 4299-0790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4299-0790?
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What is the minimum amount of 4299-0790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4299-0790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4299-0790
  • 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 4299-0790 available by request