D568-0445 Screening compound: 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}-1,4-diazepane

D568-0445 Screening compound: 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}-1,4-diazepane
D568-0445 Screening compound: 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound D568-0445
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-{[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

D568-0445

Molecular Formula

C23H22N6O3 (C23 H22 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1-c1noc(C2CC2)n1)N(CCC1)CCN1c1nc(nccc2)c2o1

InChI

InChI=1S/C23H22N6O3/c30-22(17-8-4-15(5-9-17)19-25-21(32-27-19)16-6-7-16)28-11-2-12-29(14-13-28)23-26-20-18(31-23)3-1-10-24-20/h1,3-5,8-10,16H,2,6-7,11-14H2

InChI Key

YZVJSYSZKNTSEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.47

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

3.701

Distribution Coefficient, logD

3.701

Water Solubility, LogSw

-3.93

Polar Surface Area

79.934

Acid Dissociation Constant (pKa)

23.01

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D568-0445 in Drug Discovery

Included in Screening Libraries

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 D568-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D568-0445?
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What is the minimum amount of D568-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D568-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D568-0445
  • 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 D568-0445 available by request