2739-0156 Screening compound: 4-[(2Z)-2-[(4-chlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-amido]benzoic acid

2739-0156 Screening compound: 4-[(2Z)-2-[(4-chlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-amido]benzoic acid
2739-0156 Screening compound: 4-[(2Z)-2-[(4-chlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-amido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2739-0156
4-[(2Z)-2-[(4-chlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-amido]benzoic acid

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

2739-0156

Molecular Formula

C26H22ClN3O4S (C26 H22 ClN3 O4 S)

Compound Name

4-[(2Z)-2-[(4-chlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-amido]benzoic acid

IUPAC name

4-[(2Z)-2-[(4-chlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-13-thiazinane-6-amido]benzoic acid

SMILES

OC(c(cc1)ccc1NC(C(CC(N1CCc2ccccc2)=O)S/C1=N\c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C26H22ClN3O4S/c27-19-8-12-21(13-9-19)29-26-30(15-14-17-4-2-1-3-5-17)23(31)16-22(35-26)24(32)28-20-10-6-18(7-11-20)25(33)34/h1-13,22H,14-16H2,(H,28,32)(H,33,34)/t22-/m0/s1

InChI Key

NDNNZLMEYJSWPS-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02145017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.260

Distribution Coefficient, logD

2.865

Water Solubility, LogSw

-5.58

Polar Surface Area

76.525

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 2739-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2739-0156?
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What is the minimum amount of 2739-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2739-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2739-0156
  • 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 2739-0156 available by request