3615-0164 Screening compound: 2-(2-methoxy-4-{[(2Z,5Z)-3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)-5-nitrobenzonitrile

3615-0164 Screening compound: 2-(2-methoxy-4-{[(2Z,5Z)-3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)-5-nitrobenzonitrile
3615-0164 Screening compound: 2-(2-methoxy-4-{[(2Z,5Z)-3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)-5-nitrobenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3615-0164
2-(2-methoxy-4-{[(2Z,5Z)-3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)-5-nitrobenzonitrile

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

3615-0164

Molecular Formula

C20H16N4O5S (C20 H16 N4 O5 S)

Compound Name

2-(2-methoxy-4-{[(2Z,5Z)-3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)-5-nitrobenzonitrile

IUPAC name

2-(2-methoxy-4-{[(2Z5Z)-3-methyl-2-(methylimino)-4-oxo-13-thiazolidin-5-ylidene]methyl}phenoxy)-5-nitrobenzonitrile

SMILES

CN(C(/C(/S1)=C/c(cc2)cc(OC)c2Oc(ccc([N+]([O-])=O)c2)c2C#N)=O)/C1=N/C

InChI

InChI=1S/C20H16N4O5S/c1-22-20-23(2)19(25)18(30-20)9-12-4-6-16(17(8-12)28-3)29-15-7-5-14(24(26)27)10-13(15)11-21/h4-10H,1-3H3

InChI Key

NNRXWNDYRRTXKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14708559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.317

Distribution Coefficient, logD

3.317

Water Solubility, LogSw

-3.88

Polar Surface Area

92.916

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 3615-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3615-0164?
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What is the minimum amount of 3615-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3615-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3615-0164
  • 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 3615-0164 available by request