2738-0153 Screening compound: (2Z)-3-benzyl-N-(3-chlorophenyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide

2738-0153 Screening compound: (2Z)-3-benzyl-N-(3-chlorophenyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
2738-0153 Screening compound: (2Z)-3-benzyl-N-(3-chlorophenyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2738-0153
(2Z)-3-benzyl-N-(3-chlorophenyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide

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

2738-0153

Molecular Formula

C25H19ClF3N3O2S (C25 H19 ClF3 N3 O2 S)

Compound Name

(2Z)-3-benzyl-N-(3-chlorophenyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide

IUPAC name

(2Z)-3-benzyl-N-(3-chlorophenyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-13-thiazinane-6-carboxamide

SMILES

O=C(C(CC(N1Cc2ccccc2)=O)S/C1=N\c1cc(C(F)(F)F)ccc1)Nc1cccc(Cl)c1

InChI

InChI=1S/C25H19ClF3N3O2S/c26-18-9-5-11-20(13-18)30-23(34)21-14-22(33)32(15-16-6-2-1-3-7-16)24(35-21)31-19-10-4-8-17(12-19)25(27,28)29/h1-13,21H,14-15H2,(H,30,34)/t21-/m0/s1

InChI Key

MMFJCPPJQUIWNP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD05022551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.508

Distribution Coefficient, logD

6.507

Water Solubility, LogSw

-6.50

Polar Surface Area

48.139

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

2738-0153 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 2738-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2738-0153?
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What is the minimum amount of 2738-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2738-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2738-0153
  • 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 2738-0153 available by request