C599-0587 Screening compound: 3-cyclopentyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)propanamide

C599-0587 Screening compound: 3-cyclopentyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)propanamide
C599-0587 Screening compound: 3-cyclopentyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-0587
3-cyclopentyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)propanamide

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

C599-0587

Molecular Formula

C21H29N3O2 (C21 H29 N3 O2)

Compound Name

3-cyclopentyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)propanamide

IUPAC name

3-cyclopentyl-N-{[3-(3-methylphenyl)-124-oxadiazol-5-yl]methyl}-N-(propan-2-yl)propanamide

SMILES

CC(C)N(Cc1nc(-c2cc(C)ccc2)no1)C(CCC1CCCC1)=O

InChI

InChI=1S/C21H29N3O2/c1-15(2)24(20(25)12-11-17-8-4-5-9-17)14-19-22-21(23-26-19)18-10-6-7-16(3)13-18/h6-7,10,13,15,17H,4-5,8-9,11-12,14H2,1-3H3

InChI Key

AZURESQNEVWWMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05832559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.194

Distribution Coefficient, logD

5.194

Water Solubility, LogSw

-5.04

Polar Surface Area

47.567

Acid Dissociation Constant (pKa)

24.49

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

C599-0587 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C599-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0587?
Check Price and Availability of C599-0587, 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 C599-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0587
  • 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 C599-0587 available by request