6169-0057 Screening compound: 6-chloro-3-(4-fluorophenyl)-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazine

6169-0057 Screening compound: 6-chloro-3-(4-fluorophenyl)-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazine
6169-0057 Screening compound: 6-chloro-3-(4-fluorophenyl)-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6169-0057
6-chloro-3-(4-fluorophenyl)-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

6169-0057

Molecular Formula

C16H15ClFNO (C16 H15 ClFNO)

Compound Name

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

IUPAC name

6-chloro-3-(4-fluorophenyl)-57-dimethyl-34-dihydro-2H-13-benzoxazine

SMILES

Cc1cc(OCN(C2)c(cc3)ccc3F)c2c(C)c1Cl

InChI

InChI=1S/C16H15ClFNO/c1-10-7-15-14(11(2)16(10)17)8-19(9-20-15)13-5-3-12(18)4-6-13/h3-7H,8-9H2,1-2H3

InChI Key

IBWSISQVIWOCIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03632701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.75

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

5.219

Distribution Coefficient, logD

5.219

Water Solubility, LogSw

-5.80

Polar Surface Area

12.543

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6169-0057 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6169-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6169-0057?
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What is the minimum amount of 6169-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6169-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6169-0057
  • 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 6169-0057 available by request