D138-0054 Screening compound: 4-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}(propan-2-yl)carbamoyl)phenyl acetate

D138-0054 Screening compound: 4-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}(propan-2-yl)carbamoyl)phenyl acetate
D138-0054 Screening compound: 4-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}(propan-2-yl)carbamoyl)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D138-0054
4-({[3-(4-chlorophenyl)-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

D138-0054

Molecular Formula

C21H20ClN3O4 (C21 H20 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(Cc1nc(-c(cc2)ccc2Cl)no1)C(c(cc1)ccc1OC(C)=O)=O

InChI

InChI=1S/C21H20ClN3O4/c1-13(2)25(21(27)16-6-10-18(11-7-16)28-14(3)26)12-19-23-20(24-29-19)15-4-8-17(22)9-5-15/h4-11,13H,12H2,1-3H3

InChI Key

MYAQABFINCUKDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07038053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.86

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

4.354

Distribution Coefficient, logD

4.354

Water Solubility, LogSw

-4.68

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

23.80

References: we are preparing a list of scientific research reports with D138-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D138-0054?
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What is the minimum amount of D138-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D138-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D138-0054
  • 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 D138-0054 available by request