7896-0369 Screening compound: 2-[9-bromo-5-(3-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methylphenol

7896-0369 Screening compound: 2-[9-bromo-5-(3-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methylphenol
7896-0369 Screening compound: 2-[9-bromo-5-(3-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7896-0369
2-[9-bromo-5-(3-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methylphenol

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

7896-0369

Molecular Formula

C21H17BrN2O2S (C21 H17 BrN2 O2 S)

Compound Name

2-[9-bromo-5-(3-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methylphenol

IUPAC name

2-[12-bromo-7-(thiophen-3-yl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(13)4911-tetraen-4-yl]-4-methylphenol

SMILES

Cc(cc1)cc(C(CC23)=NN2C(c2cscc2)Oc(cc2)c3cc2Br)c1O

InChI

InChI=1S/C21H17BrN2O2S/c1-12-2-4-19(25)15(8-12)17-10-18-16-9-14(22)3-5-20(16)26-21(24(18)23-17)13-6-7-27-11-13/h2-9,11,18,21,25H,10H2,1H3

InChI Key

MLMLIWQQSBSMMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.319

Distribution Coefficient, logD

6.317

Water Solubility, LogSw

-5.40

Polar Surface Area

39.612

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.00

7896-0369 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 7896-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7896-0369?
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What is the minimum amount of 7896-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7896-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7896-0369
  • 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 7896-0369 available by request