C498-0341 Screening compound: N-[3-(ETHYL-3-METHYLANILINO)PROPYL]-1-METHYL-4-OXO-4,5-DIHYDRO-1H-PYRROLO[3,2-C]QUINOLINE-2-CARBOXAMIDE

C498-0341 Screening compound: N-[3-(ETHYL-3-METHYLANILINO)PROPYL]-1-METHYL-4-OXO-4,5-DIHYDRO-1H-PYRROLO[3,2-C]QUINOLINE-2-CARBOXAMIDE
C498-0341 Screening compound: N-[3-(ETHYL-3-METHYLANILINO)PROPYL]-1-METHYL-4-OXO-4,5-DIHYDRO-1H-PYRROLO[3,2-C]QUINOLINE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0341
N-[3-(ETHYL-3-METHYLANILINO)PROPYL]-1-METHYL-4-OXO-4,5-DIHYDRO-1H-PYRROLO[3,2-C]QUINOLINE-2-CARBOXAMIDE

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

C498-0341

Molecular Formula

C25H28N4O2 (C25 H28 N4 O2)

Compound Name

N-[3-(ETHYL-3-METHYLANILINO)PROPYL]-1-METHYL-4-OXO-4,5-DIHYDRO-1H-PYRROLO[3,2-C]QUINOLINE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

CCN(CCCNC(c1cc(C(Nc2c-3cccc2)=O)c3n1C)=O)c1cc(C)ccc1

InChI

InChI=1S/C25H28N4O2/c1-4-29(18-10-7-9-17(2)15-18)14-8-13-26-25(31)22-16-20-23(28(22)3)19-11-5-6-12-21(19)27-24(20)30/h5-7,9-12,15-16H,4,8,13-14H2,1-3H3,(H,26,31)(H,27,30)

InChI Key

XDTJJPDMVAFSJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.905

Distribution Coefficient, logD

3.877

Water Solubility, LogSw

-3.82

Polar Surface Area

53.763

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.00

C498-0341 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C498-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0341?
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What is the minimum amount of C498-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0341
  • 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 C498-0341 available by request