3229-2164 Screening compound: 2-[(5E)-5-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

3229-2164 Screening compound: 2-[(5E)-5-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
3229-2164 Screening compound: 2-[(5E)-5-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-2164
2-[(5E)-5-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic 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

3229-2164

Molecular Formula

C19H13N3O9S2 (C19 H13 N3 O9 S2)

Compound Name

2-[(5E)-5-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5E)-5-{[4-(24-dinitrophenoxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

COc(cc(/C=C(\C(N1CC(O)=O)=O)/SC1=S)cc1)c1Oc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C19H13N3O9S2/c1-30-15-6-10(7-16-18(25)20(9-17(23)24)19(32)33-16)2-4-14(15)31-13-5-3-11(21(26)27)8-12(13)22(28)29/h2-8H,9H2,1H3,(H,23,24)

InChI Key

UWBNVQQVMRYCQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01008631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.46

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.336

Distribution Coefficient, logD

-0.783

Water Solubility, LogSw

-2.80

Polar Surface Area

126.111

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 3229-2164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-2164?
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What is the minimum amount of 3229-2164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-2164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-2164
  • 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 3229-2164 available by request