C599-0443 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)acetamide

C599-0443 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)acetamide
C599-0443 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-0443
2-(4-chloro-3-methylphenoxy)-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)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

C599-0443

Molecular Formula

C22H24ClN3O3 (C22 H24 ClN3 O3)

Compound Name

2-(4-chloro-3-methylphenoxy)-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)acetamide

IUPAC name

2-(4-chloro-3-methylphenoxy)-N-{[3-(4-methylphenyl)-124-oxadiazol-5-yl]methyl}-N-(propan-2-yl)acetamide

SMILES

CC(C)N(Cc1nc(-c2ccc(C)cc2)no1)C(COc(cc1)cc(C)c1Cl)=O

InChI

InChI=1S/C22H24ClN3O3/c1-14(2)26(21(27)13-28-18-9-10-19(23)16(4)11-18)12-20-24-22(25-29-20)17-7-5-15(3)6-8-17/h5-11,14H,12-13H2,1-4H3

InChI Key

ZBBUNMBDCDQIJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05853377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.9

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

5.818

Distribution Coefficient, logD

5.818

Water Solubility, LogSw

-6.04

Polar Surface Area

54.508

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with C599-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0443?
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What is the minimum amount of C599-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0443
  • 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 C599-0443 available by request