8013-3229 Screening compound: ethyl 1-[4-(acetylamino)-1,2,5-oxadiazol-3-yl]-6-amino-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydro-3-pyridinecarboxylate

8013-3229 Screening compound: ethyl 1-[4-(acetylamino)-1,2,5-oxadiazol-3-yl]-6-amino-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydro-3-pyridinecarboxylate
8013-3229 Screening compound: ethyl 1-[4-(acetylamino)-1,2,5-oxadiazol-3-yl]-6-amino-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydro-3-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3229
ethyl 1-[4-(acetylamino)-1,2,5-oxadiazol-3-yl]-6-amino-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydro-3-pyridinecarboxylate

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

8013-3229

Molecular Formula

C20H19ClN6O4 (C20 H19 ClN6 O4)

Compound Name

ethyl 1-[4-(acetylamino)-1,2,5-oxadiazol-3-yl]-6-amino-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydro-3-pyridinecarboxylate

IUPAC name

ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-1-(4-acetamido-125-oxadiazol-3-yl)-2-methyl-14-dihydropyridine-3-carboxylate

SMILES

CCOC(C(C1c(cccc2)c2Cl)=C(C)N(c2nonc2NC(C)=O)C(N)=C1C#N)=O

InChI

InChI=1S/C20H19ClN6O4/c1-4-30-20(29)15-10(2)27(19-18(24-11(3)28)25-31-26-19)17(23)13(9-22)16(15)12-7-5-6-8-14(12)21/h5-8,16H,4,23H2,1-3H3,(H,24,25,28)/t16-/m1/s1

InChI Key

BXTDJMAIGYPIIM-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD03158700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.86

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.877

Distribution Coefficient, logD

1.358

Water Solubility, LogSw

-3.39

Polar Surface Area

119.234

Acid Dissociation Constant (pKa)

5.89

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8013-3229 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3229
  • 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 8013-3229 available by request