3229-0287 Screening compound: (5E)-5-{[4-(2-bromoethoxy)-3-methoxyphenyl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

3229-0287 Screening compound: (5E)-5-{[4-(2-bromoethoxy)-3-methoxyphenyl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
3229-0287 Screening compound: (5E)-5-{[4-(2-bromoethoxy)-3-methoxyphenyl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0287
(5E)-5-{[4-(2-bromoethoxy)-3-methoxyphenyl]methylidene}-3-(prop-2-en-1-yl)-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

3229-0287

Molecular Formula

C16H16BrNO3S2 (C16 H16 BrNO3 S2)

Compound Name

(5E)-5-{[4-(2-bromoethoxy)-3-methoxyphenyl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-{[4-(2-bromoethoxy)-3-methoxyphenyl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

COc(cc(/C=C(\C(N1CC=C)=O)/SC1=S)cc1)c1OCCBr

InChI

InChI=1S/C16H16BrNO3S2/c1-3-7-18-15(19)14(23-16(18)22)10-11-4-5-12(21-8-6-17)13(9-11)20-2/h3-5,9-10H,1,6-8H2,2H3

InChI Key

DKXLVVIWJYTCHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01963333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.614

Distribution Coefficient, logD

3.614

Water Solubility, LogSw

-3.83

Polar Surface Area

31.827

Acid Dissociation Constant (pKa)

27.20

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3229-0287 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3229-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0287?
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What is the minimum amount of 3229-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0287
  • 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 3229-0287 available by request