D568-0446 Screening compound: 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-{5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}-1,4-diazepane

D568-0446 Screening compound: 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-{5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}-1,4-diazepane
D568-0446 Screening compound: 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-{5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound D568-0446
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-{5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}-1,4-diazepane

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

D568-0446

Molecular Formula

C24H24N6O3 (C24 H24 N6 O3)

Compound Name

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-{5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}-1,4-diazepane

IUPAC name

1-[4-(5-cyclopropyl-124-oxadiazol-3-yl)benzoyl]-4-{5-methyl-[13]oxazolo[45-b]pyridin-2-yl}-14-diazepane

SMILES

Cc(cc1)nc2c1oc(N(CCC1)CCN1C(c(cc1)ccc1-c1noc(C3CC3)n1)=O)n2

InChI

InChI=1S/C24H24N6O3/c1-15-3-10-19-21(25-15)27-24(32-19)30-12-2-11-29(13-14-30)23(31)18-8-4-16(5-9-18)20-26-22(33-28-20)17-6-7-17/h3-5,8-10,17H,2,6-7,11-14H2,1H3

InChI Key

IIHFLUABIAAPPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.284

Distribution Coefficient, logD

4.284

Water Solubility, LogSw

-4.17

Polar Surface Area

79.309

Acid Dissociation Constant (pKa)

23.01

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D568-0446 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 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 D568-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D568-0446?
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What is the minimum amount of D568-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D568-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D568-0446
  • 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 D568-0446 available by request