2101-0102 Screening compound: (5E)-3-phenyl-2-sulfanylidene-5-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1,3-thiazolidin-4-one

2101-0102 Screening compound: (5E)-3-phenyl-2-sulfanylidene-5-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1,3-thiazolidin-4-one
2101-0102 Screening compound: (5E)-3-phenyl-2-sulfanylidene-5-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2101-0102
(5E)-3-phenyl-2-sulfanylidene-5-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-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

2101-0102

Molecular Formula

C22H20N2OS2 (C22 H20 N2 OS2)

Compound Name

(5E)-3-phenyl-2-sulfanylidene-5-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1,3-thiazolidin-4-one

IUPAC name

(5E)-3-phenyl-2-sulfanylidene-5-{2-[(2E)-133-trimethyl-23-dihydro-1H-indol-2-ylidene]ethylidene}-13-thiazolidin-4-one

SMILES

CC1(C)c(cccc2)c2N(C)/C1=C/C=C(\C(N1c2ccccc2)=O)/SC1=S

InChI

InChI=1S/C22H20N2OS2/c1-22(2)16-11-7-8-12-17(16)23(3)19(22)14-13-18-20(25)24(21(26)27-18)15-9-5-4-6-10-15/h4-14H,1-3H3

InChI Key

VVIIOIPUFUBROD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.703

Distribution Coefficient, logD

4.703

Water Solubility, LogSw

-4.59

Polar Surface Area

17.103

Acid Dissociation Constant (pKa)

29.66

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

2101-0102 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2101-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2101-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2101-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2101-0102
  • 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 2101-0102 available by request