3448-1275 Screening compound: 4-[(5E)-2,4,6-trioxo-5-[(thiophen-2-yl)methylidene]-1,3-diazinan-1-yl]benzoic acid

3448-1275 Screening compound: 4-[(5E)-2,4,6-trioxo-5-[(thiophen-2-yl)methylidene]-1,3-diazinan-1-yl]benzoic acid
3448-1275 Screening compound: 4-[(5E)-2,4,6-trioxo-5-[(thiophen-2-yl)methylidene]-1,3-diazinan-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-1275
4-[(5E)-2,4,6-trioxo-5-[(thiophen-2-yl)methylidene]-1,3-diazinan-1-yl]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

3448-1275

Molecular Formula

C16H10N2O5S (C16 H10 N2 O5 S)

Compound Name

4-[(5E)-2,4,6-trioxo-5-[(thiophen-2-yl)methylidene]-1,3-diazinan-1-yl]benzoic acid

IUPAC name

4-[(5E)-246-trioxo-5-[(thiophen-2-yl)methylidene]-13-diazinan-1-yl]benzoic acid

SMILES

OC(c(cc1)ccc1N(C(/C(/C(N1)=O)=C/c2cccs2)=O)C1=O)=O

InChI

InChI=1S/C16H10N2O5S/c19-13-12(8-11-2-1-7-24-11)14(20)18(16(23)17-13)10-5-3-9(4-6-10)15(21)22/h1-8H,(H,21,22)(H,17,19,23)

InChI Key

DWEZABWXYPJTIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01831947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.783

Distribution Coefficient, logD

-0.612

Water Solubility, LogSw

-2.42

Polar Surface Area

82.817

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-8.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3448-1275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-1275?
Check Price and Availability of 3448-1275, 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 3448-1275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-1275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-1275
  • 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 3448-1275 available by request