8013-2798 Screening compound: methyl 1-(propan-2-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate

8013-2798 Screening compound: methyl 1-(propan-2-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate
8013-2798 Screening compound: methyl 1-(propan-2-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2798
methyl 1-(propan-2-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate

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

8013-2798

Molecular Formula

C16H20N2O2 (C16 H20 N2 O2)

Compound Name

methyl 1-(propan-2-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate

IUPAC name

methyl 1-(propan-2-yl)-1H2H3H4H9H-pyrido[34-b]indole-3-carboxylate

SMILES

CC(C)C(c1c(C2)c(cccc3)c3[nH]1)NC2C(OC)=O

InChI

InChI=1S/C16H20N2O2/c1-9(2)14-15-11(8-13(18-14)16(19)20-3)10-6-4-5-7-12(10)17-15/h4-7,9,13-14,17-18H,8H2,1-3H3

InChI Key

JYDHUPQJWUFVGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02185603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.605

Distribution Coefficient, logD

2.533

Water Solubility, LogSw

-2.92

Polar Surface Area

44.245

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

6.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.80

8013-2798 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8013-2798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2798?
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What is the minimum amount of 8013-2798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2798
  • 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 8013-2798 available by request