2720-0112 Screening compound: 6-chloro-2-(2,4-dimethoxyphenyl)-4-phenyl-2,4-dihydro-1H-3,1-benzoxazine

2720-0112 Screening compound: 6-chloro-2-(2,4-dimethoxyphenyl)-4-phenyl-2,4-dihydro-1H-3,1-benzoxazine
2720-0112 Screening compound: 6-chloro-2-(2,4-dimethoxyphenyl)-4-phenyl-2,4-dihydro-1H-3,1-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2720-0112
6-chloro-2-(2,4-dimethoxyphenyl)-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

2720-0112

Molecular Formula

C22H20ClNO3 (C22 H20 ClNO3)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(OC)c(C2OC(c3ccccc3)c(cc(cc3)Cl)c3N2)cc1

InChI

InChI=1S/C22H20ClNO3/c1-25-16-9-10-17(20(13-16)26-2)22-24-19-11-8-15(23)12-18(19)21(27-22)14-6-4-3-5-7-14/h3-13,21-22,24H,1-2H3

InChI Key

ZKSVHJPFCXMRBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02926752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.660

Distribution Coefficient, logD

5.660

Water Solubility, LogSw

-6.23

Polar Surface Area

35.458

Acid Dissociation Constant (pKa)

18.15

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 2720-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2720-0112?
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What is the minimum amount of 2720-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2720-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2720-0112
  • 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 2720-0112 available by request