2389-0985 Screening compound: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

2389-0985 Screening compound: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
2389-0985 Screening compound: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2389-0985
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

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

2389-0985

Molecular Formula

C19H20N4O2S3 (C19 H20 N4 O2 S3)

Compound Name

N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

IUPAC name

N-(5-butyl-134-thiadiazol-2-yl)-3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-13-thiazolidin-3-yl]propanamide

SMILES

CCCCc1nnc(NC(CCN(C(/C(/S2)=C/c3ccccc3)=O)C2=S)=O)s1

InChI

InChI=1S/C19H20N4O2S3/c1-2-3-9-16-21-22-18(28-16)20-15(24)10-11-23-17(25)14(27-19(23)26)12-13-7-5-4-6-8-13/h4-8,12H,2-3,9-11H2,1H3,(H,20,22,24)

InChI Key

LRUYEYPEMVNNJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01911185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.426

Distribution Coefficient, logD

4.257

Water Solubility, LogSw

-4.10

Polar Surface Area

63.610

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 2389-0985 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 2389-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2389-0985
  • 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 2389-0985 available by request