E216-1038 Screening compound: N-[(2-bromophenyl)methyl]-1-(3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide

E216-1038 Screening compound: N-[(2-bromophenyl)methyl]-1-(3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
E216-1038 Screening compound: N-[(2-bromophenyl)methyl]-1-(3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-1038
N-[(2-bromophenyl)methyl]-1-(3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide

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

E216-1038

Molecular Formula

C22H24BrN3O3 (C22 H24 BrN3 O3)

Compound Name

N-[(2-bromophenyl)methyl]-1-(3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide

IUPAC name

N-[(2-bromophenyl)methyl]-1-(34-dihydro-2H-14-benzoxazine-4-carbonyl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1C(N1c(cccc2)c2OCC1)=O)NCc(cccc1)c1Br

InChI

InChI=1S/C22H24BrN3O3/c23-18-6-2-1-5-17(18)15-24-21(27)16-9-11-25(12-10-16)22(28)26-13-14-29-20-8-4-3-7-19(20)26/h1-8,16H,9-15H2,(H,24,27)

InChI Key

PBYOOXOIEPPOJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.536

Distribution Coefficient, logD

3.536

Water Solubility, LogSw

-3.39

Polar Surface Area

49.722

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E216-1038 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E216-1038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-1038?
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What is the minimum amount of E216-1038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-1038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-1038
  • 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 E216-1038 available by request