C599-0521 Screening compound: 2-(3-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)propanamide

C599-0521 Screening compound: 2-(3-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)propanamide
C599-0521 Screening compound: 2-(3-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-0521
2-(3-chlorophenoxy)-N-[(3-phenyl-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

C599-0521

Molecular Formula

C21H22ClN3O3 (C21 H22 ClN3 O3)

Compound Name

2-(3-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)propanamide

IUPAC name

2-(3-chlorophenoxy)-N-[(3-phenyl-124-oxadiazol-5-yl)methyl]-N-(propan-2-yl)propanamide

SMILES

CC(C)N(Cc1nc(-c2ccccc2)no1)C(C(C)Oc1cccc(Cl)c1)=O

InChI

InChI=1S/C21H22ClN3O3/c1-14(2)25(21(26)15(3)27-18-11-7-10-17(22)12-18)13-19-23-20(24-28-19)16-8-5-4-6-9-16/h4-12,14-15H,13H2,1-3H3/t15-/m0/s1

InChI Key

QSMNDABMOPANIC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD07161505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.211

Distribution Coefficient, logD

5.211

Water Solubility, LogSw

-5.64

Polar Surface Area

54.325

Acid Dissociation Constant (pKa)

22.64

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C599-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0521?
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What is the minimum amount of C599-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0521
  • 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 C599-0521 available by request