D468-2063 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide

D468-2063 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
D468-2063 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-2063
N-(2,1,3-benzothiadiazol-5-yl)-6,8-dimethyl-4-oxo-4H-chromene-2-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

D468-2063

Molecular Formula

C18H13N3O3S (C18 H13 N3 O3 S)

Compound Name

N-(2,1,3-benzothiadiazol-5-yl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide

IUPAC name

N-(213-benzothiadiazol-5-yl)-68-dimethyl-4-oxo-4H-chromene-2-carboxamide

SMILES

Cc(cc1C)cc2c1OC(C(Nc1cc3nsnc3cc1)=O)=CC2=O

InChI

InChI=1S/C18H13N3O3S/c1-9-5-10(2)17-12(6-9)15(22)8-16(24-17)18(23)19-11-3-4-13-14(7-11)21-25-20-13/h3-8H,1-2H3,(H,19,23)

InChI Key

ASMXYUZQKPHRDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12919073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.345

Distribution Coefficient, logD

4.334

Water Solubility, LogSw

-4.38

Polar Surface Area

65.015

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with D468-2063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-2063?
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What is the minimum amount of D468-2063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-2063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-2063
  • 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 D468-2063 available by request