2739-0172 Screening compound: (2Z)-2-[(4-chlorophenyl)imino]-3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide

2739-0172 Screening compound: (2Z)-2-[(4-chlorophenyl)imino]-3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
2739-0172 Screening compound: (2Z)-2-[(4-chlorophenyl)imino]-3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2739-0172
(2Z)-2-[(4-chlorophenyl)imino]-3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)-4-oxo-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

2739-0172

Molecular Formula

C27H25ClFN3O4S (C27 H25 ClFN3 O4 S)

Compound Name

(2Z)-2-[(4-chlorophenyl)imino]-3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide

IUPAC name

(2Z)-2-[(4-chlorophenyl)imino]-3-[2-(34-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)-4-oxo-13-thiazinane-6-carboxamide

SMILES

COc(ccc(CCN(C(CC(C(Nc(cc1)ccc1F)=O)S1)=O)/C1=N/c(cc1)ccc1Cl)c1)c1OC

InChI

InChI=1S/C27H25ClFN3O4S/c1-35-22-12-3-17(15-23(22)36-2)13-14-32-25(33)16-24(26(34)30-20-10-6-19(29)7-11-20)37-27(32)31-21-8-4-18(28)5-9-21/h3-12,15,24H,13-14,16H2,1-2H3,(H,30,34)/t24-/m0/s1

InChI Key

BPHYPWIVVGQXLE-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02145108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.03

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.958

Distribution Coefficient, logD

4.958

Water Solubility, LogSw

-4.95

Polar Surface Area

63.378

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 2739-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2739-0172?
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What is the minimum amount of 2739-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2739-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2739-0172
  • 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 2739-0172 available by request