D138-0053 Screening compound: 4-({[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}(propan-2-yl)carbamoyl)phenyl acetate

D138-0053 Screening compound: 4-({[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}(propan-2-yl)carbamoyl)phenyl acetate
D138-0053 Screening compound: 4-({[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}(propan-2-yl)carbamoyl)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D138-0053
4-({[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}(propan-2-yl)carbamoyl)phenyl acetate

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

D138-0053

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

4-({[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}(propan-2-yl)carbamoyl)phenyl acetate

IUPAC name

4-({[3-(4-methylphenyl)-124-oxadiazol-5-yl]methyl}(propan-2-yl)carbamoyl)phenyl acetate

SMILES

CC(C)N(Cc1nc(-c2ccc(C)cc2)no1)C(c(cc1)ccc1OC(C)=O)=O

InChI

InChI=1S/C22H23N3O4/c1-14(2)25(22(27)18-9-11-19(12-10-18)28-16(4)26)13-20-23-21(24-29-20)17-7-5-15(3)6-8-17/h5-12,14H,13H2,1-4H3

InChI Key

ZXSCISTXDBOTCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07038052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.182

Distribution Coefficient, logD

4.182

Water Solubility, LogSw

-4.22

Polar Surface Area

68.287

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D138-0053 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D138-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D138-0053?
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What is the minimum amount of D138-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D138-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D138-0053
  • 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 D138-0053 available by request