8020-3018 Screening compound: 1,4-diethyl (2E)-2-[(1,2,5-trimethyl-1H-indol-6-yl)amino]but-2-enedioate

8020-3018 Screening compound: 1,4-diethyl (2E)-2-[(1,2,5-trimethyl-1H-indol-6-yl)amino]but-2-enedioate
8020-3018 Screening compound: 1,4-diethyl (2E)-2-[(1,2,5-trimethyl-1H-indol-6-yl)amino]but-2-enedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3018
1,4-diethyl (2E)-2-[(1,2,5-trimethyl-1H-indol-6-yl)amino]but-2-enedioate

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

8020-3018

Molecular Formula

C19H24N2O4 (C19 H24 N2 O4)

Compound Name

1,4-diethyl (2E)-2-[(1,2,5-trimethyl-1H-indol-6-yl)amino]but-2-enedioate

IUPAC name

14-diethyl (2E)-2-[(125-trimethyl-1H-indol-6-yl)amino]but-2-enedioate

SMILES

CCOC(/C=C(\C(OCC)=O)/Nc1c(C)cc(cc(C)n2C)c2c1)=O

InChI

InChI=1S/C19H24N2O4/c1-6-24-18(22)11-16(19(23)25-7-2)20-15-10-17-14(8-12(15)3)9-13(4)21(17)5/h8-11,20H,6-7H2,1-5H3

InChI Key

QQMKNGTWIZPARR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.795

Distribution Coefficient, logD

3.795

Water Solubility, LogSw

-3.83

Polar Surface Area

50.977

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

8020-3018 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8020-3018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3018?
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What is the minimum amount of 8020-3018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3018
  • 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 8020-3018 available by request