6969-1576 Screening compound: 5-(2-bromophenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

6969-1576 Screening compound: 5-(2-bromophenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
6969-1576 Screening compound: 5-(2-bromophenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6969-1576
5-(2-bromophenyl)-2-(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

6969-1576

Molecular Formula

C20H15BrN2OS (C20 H15 BrN2 OS)

Compound Name

5-(2-bromophenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

IUPAC name

7-(2-bromophenyl)-4-(thiophen-2-yl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(13)4911-tetraene

SMILES

Brc1c(C(N(C2C3)N=C3c3cccs3)Oc3c2cccc3)cccc1

InChI

InChI=1S/C20H15BrN2OS/c21-15-8-3-1-6-13(15)20-23-17(14-7-2-4-9-18(14)24-20)12-16(22-23)19-10-5-11-25-19/h1-11,17,20H,12H2

InChI Key

ATEUWZWKKFWGNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13370947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.691

Distribution Coefficient, logD

5.691

Water Solubility, LogSw

-6.00

Polar Surface Area

23.064

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.00

6969-1576 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6969-1576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6969-1576?
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What is the minimum amount of 6969-1576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6969-1576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6969-1576
  • 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 6969-1576 available by request