D491-4121 Screening compound: 2-(4-chlorophenoxy)-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetamide

D491-4121 Screening compound: 2-(4-chlorophenoxy)-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetamide
D491-4121 Screening compound: 2-(4-chlorophenoxy)-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4121
2-(4-chlorophenoxy)-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetamide

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

D491-4121

Molecular Formula

C17H15ClN2O4 (C17 H15 ClN2 O4)

Compound Name

2-(4-chlorophenoxy)-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetamide

IUPAC name

2-(4-chlorophenoxy)-N-(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)acetamide

SMILES

CC1Oc(ccc(NC(COc(cc2)ccc2Cl)=O)c2)c2NC1=O

InChI

InChI=1S/C17H15ClN2O4/c1-10-17(22)20-14-8-12(4-7-15(14)24-10)19-16(21)9-23-13-5-2-11(18)3-6-13/h2-8,10H,9H2,1H3,(H,19,21)(H,20,22)/t10-/m1/s1

InChI Key

SSHMIGGKLBZILA-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD10065629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.080

Distribution Coefficient, logD

3.080

Water Solubility, LogSw

-3.25

Polar Surface Area

63.224

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

D491-4121 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 D491-4121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4121?
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What is the minimum amount of D491-4121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4121
  • 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 D491-4121 available by request