C094-0422 Screening compound: N-[2-(4-isopropylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide

C094-0422 Screening compound: N-[2-(4-isopropylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide
C094-0422 Screening compound: N-[2-(4-isopropylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0422
N-[2-(4-isopropylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide

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

C094-0422

Molecular Formula

C25H27N3O4 (C25 H27 N3 O4)

Compound Name

N-[2-(4-isopropylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide

IUPAC name

n/a

SMILES

CC(C)c(cc1)ccc1NC(C(c(cc1)ccc1OC)N(C)C(C(C=C1)=CNC1=O)=O)=O

InChI

InChI=1S/C25H27N3O4/c1-16(2)17-5-10-20(11-6-17)27-24(30)23(18-7-12-21(32-4)13-8-18)28(3)25(31)19-9-14-22(29)26-15-19/h5-16,23H,1-4H3,(H,26,29)(H,27,30)/t23-/m1/s1

InChI Key

MNUQIVBNPSXMPK-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD08674028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.484

Distribution Coefficient, logD

3.445

Water Solubility, LogSw

-3.64

Polar Surface Area

70.525

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

C094-0422 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C094-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0422?
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What is the minimum amount of C094-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0422
  • 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 C094-0422 available by request