1015-0049 Screening compound: 3-(anilinomethyl)-5-[(E)-1-phenylmethylidene]-2-thioxo-1,3-thiazolan-4-one

1015-0049 Screening compound: 3-(anilinomethyl)-5-[(E)-1-phenylmethylidene]-2-thioxo-1,3-thiazolan-4-one
1015-0049 Screening compound: 3-(anilinomethyl)-5-[(E)-1-phenylmethylidene]-2-thioxo-1,3-thiazolan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1015-0049
3-(anilinomethyl)-5-[(E)-1-phenylmethylidene]-2-thioxo-1,3-thiazolan-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

1015-0049

Molecular Formula

C17H14N2OS2 (C17 H14 N2 OS2)

Compound Name

3-(anilinomethyl)-5-[(E)-1-phenylmethylidene]-2-thioxo-1,3-thiazolan-4-one

IUPAC name

(5E)-3-[(phenylamino)methyl]-5-(phenylmethylidene)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

O=C(/C(/S1)=C\c2ccccc2)N(CNc2ccccc2)C1=S

InChI

InChI=1S/C17H14N2OS2/c20-16-15(11-13-7-3-1-4-8-13)22-17(21)19(16)12-18-14-9-5-2-6-10-14/h1-11,18H,12H2

InChI Key

DJSRQTYEPJPZPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00610281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.081

Distribution Coefficient, logD

4.081

Water Solubility, LogSw

-4.29

Polar Surface Area

27.602

Acid Dissociation Constant (pKa)

19.79

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

1015-0049 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 1015-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1015-0049?
Check Price and Availability of 1015-0049, 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 1015-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1015-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1015-0049
  • 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 1015-0049 available by request