2720-0117 Screening compound: 6-bromo-4-phenyl-2-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-3,1-benzoxazine

2720-0117 Screening compound: 6-bromo-4-phenyl-2-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-3,1-benzoxazine
2720-0117 Screening compound: 6-bromo-4-phenyl-2-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-3,1-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2720-0117
6-bromo-4-phenyl-2-(3,4,5-trimethoxyphenyl)-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

2720-0117

Molecular Formula

C23H22BrNO4 (C23 H22 BrNO4)

Compound Name

6-bromo-4-phenyl-2-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-3,1-benzoxazine

IUPAC name

6-bromo-4-phenyl-2-(345-trimethoxyphenyl)-24-dihydro-1H-31-benzoxazine

SMILES

COc1cc(C2OC(c3ccccc3)c(cc(cc3)Br)c3N2)cc(OC)c1OC

InChI

InChI=1S/C23H22BrNO4/c1-26-19-11-15(12-20(27-2)22(19)28-3)23-25-18-10-9-16(24)13-17(18)21(29-23)14-7-5-4-6-8-14/h4-13,21,23,25H,1-3H3

InChI Key

NHKCLLHEAXTILT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02926756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.431

Distribution Coefficient, logD

5.431

Water Solubility, LogSw

-5.61

Polar Surface Area

43.262

Acid Dissociation Constant (pKa)

18.62

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.70

2720-0117 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2720-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2720-0117?
Check Price and Availability of 2720-0117, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2720-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2720-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2720-0117
  • 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 2720-0117 available by request