Y010-1813 Screening compound: 2-[4-oxo-2-(phenylimino)-1,3-thiazolan-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

Y010-1813 Screening compound: 2-[4-oxo-2-(phenylimino)-1,3-thiazolan-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
Y010-1813 Screening compound: 2-[4-oxo-2-(phenylimino)-1,3-thiazolan-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1813
2-[4-oxo-2-(phenylimino)-1,3-thiazolan-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

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

Y010-1813

Molecular Formula

C18H14F3N3O2S (C18 H14 F3 N3 O2 S)

Compound Name

2-[4-oxo-2-(phenylimino)-1,3-thiazolan-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[(2E)-4-oxo-2-(phenylimino)-13-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CC(C(N1)=O)S/C1=N/c1ccccc1)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C18H14F3N3O2S/c19-18(20,21)12-8-4-5-9-13(12)23-15(25)10-14-16(26)24-17(27-14)22-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,23,25)(H,22,24,26)/t14-/m0/s1

InChI Key

OXDYMAMTDLXYLF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03725908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.153

Distribution Coefficient, logD

3.094

Water Solubility, LogSw

-3.65

Polar Surface Area

55.604

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

Y010-1813 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y010-1813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1813?
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What is the minimum amount of Y010-1813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1813
  • 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 Y010-1813 available by request