8016-0226 Screening compound: 9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[indole-3,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2(1H)-one

8016-0226 Screening compound: 9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[indole-3,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2(1H)-one
8016-0226 Screening compound: 9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[indole-3,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0226
9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[indole-3,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2(1H)-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

8016-0226

Molecular Formula

C24H18BrN3O2 (C24 H18 BrN3 O2)

Compound Name

9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[indole-3,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2(1H)-one

IUPAC name

12'-bromo-4'-(4-methylphenyl)-12-dihydro-8'-oxa-5'6'-diazaspiro[indole-37'-tricyclo[7.4.0.0^{26}]tridecane]-1'(9')4'10'12'-tetraen-2-one

SMILES

Cc(cc1)ccc1C(CC12)=NN1C(c(cccc1)c1N1)(C1=O)Oc(cc1)c2cc1Br

InChI

InChI=1S/C24H18BrN3O2/c1-14-6-8-15(9-7-14)20-13-21-17-12-16(25)10-11-22(17)30-24(28(21)27-20)18-4-2-3-5-19(18)26-23(24)29/h2-12,21H,13H2,1H3,(H,26,29)

InChI Key

RIHTWEUTBQXIRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02609047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.920

Distribution Coefficient, logD

5.920

Water Solubility, LogSw

-5.52

Polar Surface Area

46.782

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.67

8016-0226 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 8016-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0226?
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What is the minimum amount of 8016-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0226
  • 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 8016-0226 available by request