D138-0057 Screening compound: 4-butoxy-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

D138-0057 Screening compound: 4-butoxy-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
D138-0057 Screening compound: 4-butoxy-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D138-0057
4-butoxy-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]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

D138-0057

Molecular Formula

C24H29N3O3 (C24 H29 N3 O3)

Compound Name

4-butoxy-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

IUPAC name

4-butoxy-N-tert-butyl-N-[(3-phenyl-124-oxadiazol-5-yl)methyl]benzamide

SMILES

CCCCOc(cc1)ccc1C(N(Cc1nc(-c2ccccc2)no1)C(C)(C)C)=O

InChI

InChI=1S/C24H29N3O3/c1-5-6-16-29-20-14-12-19(13-15-20)23(28)27(24(2,3)4)17-21-25-22(26-30-21)18-10-8-7-9-11-18/h7-15H,5-6,16-17H2,1-4H3

InChI Key

XFYDTGAIJUJPRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07038122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.51

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

5.788

Distribution Coefficient, logD

5.788

Water Solubility, LogSw

-5.46

Polar Surface Area

55.317

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D138-0057 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D138-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D138-0057?
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What is the minimum amount of D138-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D138-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D138-0057
  • 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 D138-0057 available by request