D568-0253 Screening compound: 2-[2-(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-isoindole-1,3-dione

D568-0253 Screening compound: 2-[2-(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-isoindole-1,3-dione
D568-0253 Screening compound: 2-[2-(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D568-0253
2-[2-(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-isoindole-1,3-dione

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

D568-0253

Molecular Formula

C21H19N5O4 (C21 H19 N5 O4)

Compound Name

2-[2-(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[2-(4-{[13]oxazolo[45-b]pyridin-2-yl}-14-diazepan-1-yl)-2-oxoethyl]-23-dihydro-1H-isoindole-13-dione

SMILES

O=C(CN(C(c1c2cccc1)=O)C2=O)N(CCC1)CCN1c1nc(nccc2)c2o1

InChI

InChI=1S/C21H19N5O4/c27-17(13-26-19(28)14-5-1-2-6-15(14)20(26)29)24-9-4-10-25(12-11-24)21-23-18-16(30-21)7-3-8-22-18/h1-3,5-8H,4,9-13H2

InChI Key

LJWGVZUXGBEZDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.371

Distribution Coefficient, logD

1.368

Water Solubility, LogSw

-2.09

Polar Surface Area

77.002

Acid Dissociation Constant (pKa)

23.17

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D568-0253 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D568-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D568-0253?
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What is the minimum amount of D568-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D568-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D568-0253
  • 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 D568-0253 available by request