3332-1217 Screening compound: 6-bromo-2-(4-bromophenyl)-4-phenyl-2,4-dihydro-1H-3,1-benzoxazine

3332-1217 Screening compound: 6-bromo-2-(4-bromophenyl)-4-phenyl-2,4-dihydro-1H-3,1-benzoxazine
3332-1217 Screening compound: 6-bromo-2-(4-bromophenyl)-4-phenyl-2,4-dihydro-1H-3,1-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3332-1217
6-bromo-2-(4-bromophenyl)-4-phenyl-2,4-dihydro-1H-3,1-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

3332-1217

Molecular Formula

C20H15Br2NO (C20 H15 Br2 NO)

Compound Name

6-bromo-2-(4-bromophenyl)-4-phenyl-2,4-dihydro-1H-3,1-benzoxazine

IUPAC name

6-bromo-2-(4-bromophenyl)-4-phenyl-24-dihydro-1H-31-benzoxazine

SMILES

Brc1ccc(C2OC(c3ccccc3)c(cc(cc3)Br)c3N2)cc1

InChI

InChI=1S/C20H15Br2NO/c21-15-8-6-14(7-9-15)20-23-18-11-10-16(22)12-17(18)19(24-20)13-4-2-1-3-5-13/h1-12,19-20,23H

InChI Key

OWSSYKJUUWTEFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03131007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.15

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.566

Distribution Coefficient, logD

6.566

Water Solubility, LogSw

-6.27

Polar Surface Area

20.284

Acid Dissociation Constant (pKa)

16.72

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

10.00

3332-1217 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3332-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3332-1217?
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What is the minimum amount of 3332-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3332-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3332-1217
  • 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 3332-1217 available by request