2743-1101 Screening compound: 4-[(2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-amido]benzoic acid

2743-1101 Screening compound: 4-[(2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-amido]benzoic acid
2743-1101 Screening compound: 4-[(2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-amido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2743-1101
4-[(2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)imino]-4-oxo-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

2743-1101

Molecular Formula

C28H25N3O7S (C28 H25 N3 O7 S)

Compound Name

4-[(2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-amido]benzoic acid

IUPAC name

4-[(2Z)-3-[(2H-13-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)imino]-4-oxo-13-thiazinane-6-amido]benzoic acid

SMILES

CCOc(cc1)ccc1/N=C(/N(Cc(cc1)cc2c1OCO2)C(C1)=O)\SC1C(Nc(cc1)ccc1C(O)=O)=O

InChI

InChI=1S/C28H25N3O7S/c1-2-36-21-10-8-20(9-11-21)30-28-31(15-17-3-12-22-23(13-17)38-16-37-22)25(32)14-24(39-28)26(33)29-19-6-4-18(5-7-19)27(34)35/h3-13,24H,2,14-16H2,1H3,(H,29,33)(H,34,35)/t24-/m0/s1

InChI Key

BNJIJDBYYNSOOH-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03057302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

2.412

Water Solubility, LogSw

-4.30

Polar Surface Area

100.786

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

2743-1101 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 2743-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2743-1101?
Check Price and Availability of 2743-1101, 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 2743-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2743-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2743-1101
  • 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 2743-1101 available by request