Y200-5145 Screening compound: N-[1-(2,4-dimethylphenyl)ethyl]-2-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide

Y200-5145 Screening compound: N-[1-(2,4-dimethylphenyl)ethyl]-2-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide
Y200-5145 Screening compound: N-[1-(2,4-dimethylphenyl)ethyl]-2-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-5145
N-[1-(2,4-dimethylphenyl)ethyl]-2-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}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

Y200-5145

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

N-[1-(2,4-dimethylphenyl)ethyl]-2-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide

IUPAC name

N-[1-(24-dimethylphenyl)ethyl]-2-{4-[3-(propan-2-yl)-124-oxadiazol-5-yl]phenoxy}acetamide

SMILES

CC(C)c1noc(-c(cc2)ccc2OCC(NC(C)c2c(C)cc(C)cc2)=O)n1

InChI

InChI=1S/C23H27N3O3/c1-14(2)22-25-23(29-26-22)18-7-9-19(10-8-18)28-13-21(27)24-17(5)20-11-6-15(3)12-16(20)4/h6-12,14,17H,13H2,1-5H3,(H,24,27)/t17-/m0/s1

InChI Key

CCVSOLCYKSYKKA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD11705262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.237

Distribution Coefficient, logD

5.237

Water Solubility, LogSw

-4.98

Polar Surface Area

62.778

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

Y200-5145 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 Y200-5145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-5145?
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What is the minimum amount of Y200-5145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-5145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-5145
  • 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 Y200-5145 available by request