4356-0595 Screening compound: 2-tert-butyl-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-4-oxo-4H-chromen-7-yl 2,2-dimethylpropanoate

4356-0595 Screening compound: 2-tert-butyl-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-4-oxo-4H-chromen-7-yl 2,2-dimethylpropanoate
4356-0595 Screening compound: 2-tert-butyl-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-4-oxo-4H-chromen-7-yl 2,2-dimethylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4356-0595
2-tert-butyl-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-4-oxo-4H-chromen-7-yl 2,2-dimethylpropanoate

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

4356-0595

Molecular Formula

C26H28N2O4 (C26 H28 N2 O4)

Compound Name

2-tert-butyl-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-4-oxo-4H-chromen-7-yl 2,2-dimethylpropanoate

IUPAC name

2-tert-butyl-3-(1-methyl-1H-13-benzodiazol-2-yl)-4-oxo-4H-chromen-7-yl 22-dimethylpropanoate

SMILES

CC(C)(C)C(Oc(cc1)cc(OC(C(C)(C)C)=C2c3nc(cccc4)c4n3C)c1C2=O)=O

InChI

InChI=1S/C26H28N2O4/c1-25(2,3)22-20(23-27-17-10-8-9-11-18(17)28(23)7)21(29)16-13-12-15(14-19(16)32-22)31-24(30)26(4,5)6/h8-14H,1-7H3

InChI Key

NXSJAUZGINZULY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01916940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.705

Distribution Coefficient, logD

5.705

Water Solubility, LogSw

-5.54

Polar Surface Area

51.937

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

4356-0595 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4356-0595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4356-0595?
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What is the minimum amount of 4356-0595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4356-0595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4356-0595
  • 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 4356-0595 available by request