5330-0132 Screening compound: 2-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]-3,4-dihydroquinazolin-4-one

5330-0132 Screening compound: 2-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]-3,4-dihydroquinazolin-4-one
5330-0132 Screening compound: 2-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5330-0132
2-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]-3,4-dihydroquinazolin-4-one

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

5330-0132

Molecular Formula

C14H6BrN5O3S2 (C14 H6 BrN5 O3 S2)

Compound Name

2-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]-3,4-dihydroquinazolin-4-one

IUPAC name

2-[(7-bromo-5-nitro-213-benzothiadiazol-4-yl)sulfanyl]-34-dihydroquinazolin-4-one

SMILES

[O-][N+](c(cc(c1nsnc11)Br)c1SC(N1)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C14H6BrN5O3S2/c15-7-5-9(20(22)23)12(11-10(7)18-25-19-11)24-14-16-8-4-2-1-3-6(8)13(21)17-14/h1-5H,(H,16,17,21)

InChI Key

WDLICPWHCJUMNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03715905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.27

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.464

Distribution Coefficient, logD

2.270

Water Solubility, LogSw

-4.10

Polar Surface Area

89.305

Acid Dissociation Constant (pKa)

6.24

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5330-0132 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5330-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5330-0132?
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What is the minimum amount of 5330-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5330-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5330-0132
  • 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 5330-0132 available by request