D681-0312 Screening compound: 1-(4-{[1,3]oxazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)-2-phenylpropan-1-one

D681-0312 Screening compound: 1-(4-{[1,3]oxazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)-2-phenylpropan-1-one
D681-0312 Screening compound: 1-(4-{[1,3]oxazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)-2-phenylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D681-0312
1-(4-{[1,3]oxazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)-2-phenylpropan-1-one

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

D681-0312

Molecular Formula

C20H22N4O2 (C20 H22 N4 O2)

Compound Name

1-(4-{[1,3]oxazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)-2-phenylpropan-1-one

IUPAC name

1-(4-{[13]oxazolo[54-b]pyridin-2-yl}-14-diazepan-1-yl)-2-phenylpropan-1-one

SMILES

CC(C(N(CCC1)CCN1c1nc(cccn2)c2o1)=O)c1ccccc1

InChI

InChI=1S/C20H22N4O2/c1-15(16-7-3-2-4-8-16)19(25)23-11-6-12-24(14-13-23)20-22-17-9-5-10-21-18(17)26-20/h2-5,7-10,15H,6,11-14H2,1H3/t15-/m1/s1

InChI Key

MOGNUAMKSQPMSV-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27596400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.013

Distribution Coefficient, logD

3.010

Water Solubility, LogSw

-3.02

Polar Surface Area

46.852

Acid Dissociation Constant (pKa)

18.38

Base Dissociation Constant (pKb)

9.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

D681-0312 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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 D681-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D681-0312?
Check Price and Availability of D681-0312, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D681-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D681-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D681-0312
  • 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 D681-0312 available by request