2738-0413 Screening compound: (2E)-2-[(4-iodophenyl)imino]-3-methyl-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide

2738-0413 Screening compound: (2E)-2-[(4-iodophenyl)imino]-3-methyl-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
2738-0413 Screening compound: (2E)-2-[(4-iodophenyl)imino]-3-methyl-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2738-0413
(2E)-2-[(4-iodophenyl)imino]-3-methyl-4-oxo-N-(2-phenylethyl)-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

2738-0413

Molecular Formula

C20H20IN3O2S (C20 H20 IN3 O2 S)

Compound Name

(2E)-2-[(4-iodophenyl)imino]-3-methyl-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide

IUPAC name

(2E)-2-[(4-iodophenyl)imino]-3-methyl-4-oxo-N-(2-phenylethyl)-13-thiazinane-6-carboxamide

SMILES

CN(C(CC(C(NCCc1ccccc1)=O)S1)=O)/C1=N\c(cc1)ccc1I

InChI

InChI=1S/C20H20IN3O2S/c1-24-18(25)13-17(19(26)22-12-11-14-5-3-2-4-6-14)27-20(24)23-16-9-7-15(21)8-10-16/h2-10,17H,11-13H2,1H3,(H,22,26)/t17-/m0/s1

InChI Key

BXKHQOWNVJUGHE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03586141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.780

Distribution Coefficient, logD

3.778

Water Solubility, LogSw

-3.96

Polar Surface Area

49.339

Acid Dissociation Constant (pKa)

14.36

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 2738-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2738-0413?
Check Price and Availability of 2738-0413, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2738-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2738-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2738-0413
  • 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 2738-0413 available by request