6169-0004 Screening compound: 6-chloro-3-(2,3-dimethylphenyl)-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazine

6169-0004 Screening compound: 6-chloro-3-(2,3-dimethylphenyl)-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazine
6169-0004 Screening compound: 6-chloro-3-(2,3-dimethylphenyl)-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6169-0004
6-chloro-3-(2,3-dimethylphenyl)-5,7-dimethyl-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

6169-0004

Molecular Formula

C18H20ClNO (C18 H20 ClNO)

Compound Name

6-chloro-3-(2,3-dimethylphenyl)-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazine

IUPAC name

6-chloro-3-(23-dimethylphenyl)-57-dimethyl-34-dihydro-2H-13-benzoxazine

SMILES

Cc1cccc(N(C2)COc(cc3C)c2c(C)c3Cl)c1C

InChI

InChI=1S/C18H20ClNO/c1-11-6-5-7-16(13(11)3)20-9-15-14(4)18(19)12(2)8-17(15)21-10-20/h5-8H,9-10H2,1-4H3

InChI Key

DQKZKYFNPYCSMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03632648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.82

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.957

Distribution Coefficient, logD

5.956

Water Solubility, LogSw

-6.30

Polar Surface Area

12.242

Acid Dissociation Constant (pKa)

25.83

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6169-0004 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6169-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6169-0004?
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What is the minimum amount of 6169-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6169-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6169-0004
  • 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 6169-0004 available by request