4514-1737 Screening compound: (2Z)-2-[(4-chlorophenyl)imino]-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxylic acid

4514-1737 Screening compound: (2Z)-2-[(4-chlorophenyl)imino]-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxylic acid
4514-1737 Screening compound: (2Z)-2-[(4-chlorophenyl)imino]-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-1737
(2Z)-2-[(4-chlorophenyl)imino]-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxylic 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

4514-1737

Molecular Formula

C21H21ClN2O5S (C21 H21 ClN2 O5 S)

Compound Name

(2Z)-2-[(4-chlorophenyl)imino]-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxylic acid

IUPAC name

(2Z)-2-[(4-chlorophenyl)imino]-3-[2-(34-dimethoxyphenyl)ethyl]-4-oxo-13-thiazinane-6-carboxylic acid

SMILES

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

InChI

InChI=1S/C21H21ClN2O5S/c1-28-16-8-3-13(11-17(16)29-2)9-10-24-19(25)12-18(20(26)27)30-21(24)23-15-6-4-14(22)5-7-15/h3-8,11,18H,9-10,12H2,1-2H3,(H,26,27)/t18-/m0/s1

InChI Key

WEGSTLHFAJRVGC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01907711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.064

Distribution Coefficient, logD

0.630

Water Solubility, LogSw

-3.24

Polar Surface Area

68.695

Acid Dissociation Constant (pKa)

4.97

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 4514-1737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-1737?
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What is the minimum amount of 4514-1737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-1737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-1737
  • 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 4514-1737 available by request