C849-0066 Screening compound: 2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl](methyl)amino}-N-[2-(morpholin-4-yl)ethyl]acetamide

C849-0066 Screening compound: 2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl](methyl)amino}-N-[2-(morpholin-4-yl)ethyl]acetamide
C849-0066 Screening compound: 2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl](methyl)amino}-N-[2-(morpholin-4-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C849-0066
2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl](methyl)amino}-N-[2-(morpholin-4-yl)ethyl]acetamide

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

C849-0066

Molecular Formula

C18H25N5O4 (C18 H25 N5 O4)

Compound Name

2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl](methyl)amino}-N-[2-(morpholin-4-yl)ethyl]acetamide

IUPAC name

2-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl](methyl)amino}-N-[2-(morpholin-4-yl)ethyl]acetamide

SMILES

CN(CC(NCCN1CCOCC1)=O)c1nc(-c(cc2)ccc2OC)no1

InChI

InChI=1S/C18H25N5O4/c1-22(13-16(24)19-7-8-23-9-11-26-12-10-23)18-20-17(21-27-18)14-3-5-15(25-2)6-4-14/h3-6H,7-13H2,1-2H3,(H,19,24)

InChI Key

MYICLGBHXVBTFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.039

Distribution Coefficient, logD

0.991

Water Solubility, LogSw

-2.08

Polar Surface Area

78.690

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C849-0066 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C849-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C849-0066?
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What is the minimum amount of C849-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C849-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C849-0066
  • 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 C849-0066 available by request