1013-0264 Screening compound: (5E)-3-{[(4-bromophenyl)amino]methyl}-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

1013-0264 Screening compound: (5E)-3-{[(4-bromophenyl)amino]methyl}-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
1013-0264 Screening compound: (5E)-3-{[(4-bromophenyl)amino]methyl}-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1013-0264
(5E)-3-{[(4-bromophenyl)amino]methyl}-5-[(4-methoxyphenyl)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

1013-0264

Molecular Formula

C18H15BrN2O2S2 (C18 H15 BrN2 O2 S2)

Compound Name

(5E)-3-{[(4-bromophenyl)amino]methyl}-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-3-{[(4-bromophenyl)amino]methyl}-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

COc1ccc(/C=C(\C(N2CNc(cc3)ccc3Br)=O)/SC2=S)cc1

InChI

InChI=1S/C18H15BrN2O2S2/c1-23-15-8-2-12(3-9-15)10-16-17(22)21(18(24)25-16)11-20-14-6-4-13(19)5-7-14/h2-10,20H,11H2,1H3

InChI Key

IQGYIWWBENXKGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00379568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.085

Distribution Coefficient, logD

5.085

Water Solubility, LogSw

-4.85

Polar Surface Area

35.146

Acid Dissociation Constant (pKa)

17.99

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

1013-0264 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1013-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1013-0264?
Check Price and Availability of 1013-0264, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1013-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1013-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1013-0264
  • 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 1013-0264 available by request