D138-0060 Screening compound: 4-butoxy-N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide

D138-0060 Screening compound: 4-butoxy-N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide
D138-0060 Screening compound: 4-butoxy-N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D138-0060
4-butoxy-N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide

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

D138-0060

Molecular Formula

C23H26ClN3O3 (C23 H26 ClN3 O3)

Compound Name

4-butoxy-N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide

IUPAC name

4-butoxy-N-{[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide

SMILES

CCCCOc(cc1)ccc1C(N(Cc1nc(-c(cc2)ccc2Cl)no1)C(C)C)=O

InChI

InChI=1S/C23H26ClN3O3/c1-4-5-14-29-20-12-8-18(9-13-20)23(28)27(16(2)3)15-21-25-22(26-30-21)17-6-10-19(24)11-7-17/h6-13,16H,4-5,14-15H2,1-3H3

InChI Key

JTAYXMMVLAJVJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07038125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.307

Distribution Coefficient, logD

6.307

Water Solubility, LogSw

-6.28

Polar Surface Area

54.954

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

-5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D138-0060 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D138-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D138-0060?
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What is the minimum amount of D138-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D138-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D138-0060
  • 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 D138-0060 available by request