6835-5692 Screening compound: 9-bromo-5-(4-isopropylphenyl)-2-(5-methyl-2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

6835-5692 Screening compound: 9-bromo-5-(4-isopropylphenyl)-2-(5-methyl-2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
6835-5692 Screening compound: 9-bromo-5-(4-isopropylphenyl)-2-(5-methyl-2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6835-5692
9-bromo-5-(4-isopropylphenyl)-2-(5-methyl-2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

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

6835-5692

Molecular Formula

C24H23BrN2OS (C24 H23 BrN2 OS)

Compound Name

9-bromo-5-(4-isopropylphenyl)-2-(5-methyl-2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

IUPAC name

12-bromo-4-(5-methylthiophen-2-yl)-7-[4-(propan-2-yl)phenyl]-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

CC(C)c1ccc(C(N(C2C3)N=C3c3ccc(C)s3)Oc(cc3)c2cc3Br)cc1

InChI

InChI=1S/C24H23BrN2OS/c1-14(2)16-5-7-17(8-6-16)24-27-21(19-12-18(25)9-10-22(19)28-24)13-20(26-27)23-11-4-15(3)29-23/h4-12,14,21,24H,13H2,1-3H3

InChI Key

IJYVBGJAZHJRLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04033438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.853

Distribution Coefficient, logD

7.853

Water Solubility, LogSw

-5.87

Polar Surface Area

23.064

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.20

6835-5692 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6835-5692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6835-5692?
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What is the minimum amount of 6835-5692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6835-5692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6835-5692
  • 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 6835-5692 available by request