3970-1347 Screening compound: (5Z)-5-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

3970-1347 Screening compound: (5Z)-5-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
3970-1347 Screening compound: (5Z)-5-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3970-1347
(5Z)-5-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

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

3970-1347

Molecular Formula

C18H18N2OS2 (C18 H18 N2 OS2)

Compound Name

(5Z)-5-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-{[1-(4-ethylphenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCc(cc1)ccc1-n1c(C)c(/C=C(/C(N2)=O)\SC2=S)cc1C

InChI

InChI=1S/C18H18N2OS2/c1-4-13-5-7-15(8-6-13)20-11(2)9-14(12(20)3)10-16-17(21)19-18(22)23-16/h5-10H,4H2,1-3H3,(H,19,21,22)

InChI Key

YAHKNGWXAVVUBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02194971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.518

Distribution Coefficient, logD

2.793

Water Solubility, LogSw

-3.69

Polar Surface Area

27.565

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 3970-1347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3970-1347?
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What is the minimum amount of 3970-1347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3970-1347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3970-1347
  • 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 3970-1347 available by request