2720-0118 Screening compound: 6-chloro-4-phenyl-2-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-3,1-benzoxazine

2720-0118 Screening compound: 6-chloro-4-phenyl-2-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-3,1-benzoxazine
2720-0118 Screening compound: 6-chloro-4-phenyl-2-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-3,1-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2720-0118
6-chloro-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

2720-0118

Molecular Formula

C23H22ClNO4 (C23 H22 ClNO4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H22ClNO4/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

JUFWFWSUTQTHPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02926757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.88

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

5.304

Distribution Coefficient, logD

5.304

Water Solubility, LogSw

-6.15

Polar Surface Area

43.262

Acid Dissociation Constant (pKa)

18.62

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 2720-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2720-0118?
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What is the minimum amount of 2720-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2720-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2720-0118
  • 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 2720-0118 available by request