T802-0280 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{2-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}ethan-1-one

T802-0280 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{2-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}ethan-1-one
T802-0280 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{2-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T802-0280
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{2-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}ethan-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

T802-0280

Molecular Formula

C18H29N3O2 (C18 H29 N3 O2)

Compound Name

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{2-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}ethan-1-one

IUPAC name

2-(35-dimethyl-12-oxazol-4-yl)-1-{2-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}ethan-1-one

SMILES

Cc1noc(C)c1CC(N1C(CCN2CCCC2)CCCC1)=O

InChI

InChI=1S/C18H29N3O2/c1-14-17(15(2)23-19-14)13-18(22)21-11-4-3-7-16(21)8-12-20-9-5-6-10-20/h16H,3-13H2,1-2H3/t16-/m1/s1

InChI Key

RLYIIDSBUCHGMR-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27623466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.170

Distribution Coefficient, logD

-0.107

Water Solubility, LogSw

-1.82

Polar Surface Area

42.121

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

9.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.80

T802-0280 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T802-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T802-0280?
Check Price and Availability of T802-0280, 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 T802-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T802-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T802-0280
  • 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 T802-0280 available by request