D754-0020 Screening compound: 3-oxo-N~6~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

D754-0020 Screening compound: 3-oxo-N~6~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
D754-0020 Screening compound: 3-oxo-N~6~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D754-0020
3-oxo-N~6~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-3,4-dihydro-2H-1,4-benzoxazine-6-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

D754-0020

Molecular Formula

C26H23N3O4 (C26 H23 N3 O4)

Compound Name

3-oxo-N~6~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

IUPAC name

3-oxo-N-[(2S)-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)-2-phenylpropyl]-34-dihydro-2H-14-benzoxazine-6-carboxamide

SMILES

O=C(c(cc1)cc(N2)c1OCC2=O)NC[C@@H](CN(Cc1c2cccc1)C2=O)c1ccccc1

InChI

InChI=1S/C26H23N3O4/c30-24-16-33-23-11-10-18(12-22(23)28-24)25(31)27-13-20(17-6-2-1-3-7-17)15-29-14-19-8-4-5-9-21(19)26(29)32/h1-12,20H,13-16H2,(H,27,31)(H,28,30)/t20-/m0/s1

InChI Key

XXNQVCQHNCMUDK-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.013

Distribution Coefficient, logD

3.013

Water Solubility, LogSw

-3.52

Polar Surface Area

74.568

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.23

D754-0020 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D754-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D754-0020?
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What is the minimum amount of D754-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D754-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D754-0020
  • 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 D754-0020 available by request