6718-0067 Screening compound: 3-(4-bromophenyl)-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine

6718-0067 Screening compound: 3-(4-bromophenyl)-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine
6718-0067 Screening compound: 3-(4-bromophenyl)-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6718-0067
3-(4-bromophenyl)-6-tert-butyl-3,4-dihydro-2H-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

6718-0067

Molecular Formula

C18H20BrNO (C18 H20 BrNO)

Compound Name

3-(4-bromophenyl)-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine

IUPAC name

3-(4-bromophenyl)-6-tert-butyl-34-dihydro-2H-13-benzoxazine

SMILES

CC(C)(C)c(cc1)cc(C2)c1OCN2c(cc1)ccc1Br

InChI

InChI=1S/C18H20BrNO/c1-18(2,3)14-4-9-17-13(10-14)11-20(12-21-17)16-7-5-15(19)6-8-16/h4-10H,11-12H2,1-3H3

InChI Key

OVCFQZHHYOGWTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04162481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.27

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.253

Distribution Coefficient, logD

6.253

Water Solubility, LogSw

-5.70

Polar Surface Area

12.543

Acid Dissociation Constant (pKa)

26.20

Base Dissociation Constant (pKb)

10.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 6718-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6718-0067?
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What is the minimum amount of 6718-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6718-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6718-0067
  • 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 6718-0067 available by request