C104-0030 Screening compound: 2-benzyl-2,8-dimethyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-ium

C104-0030 Screening compound: 2-benzyl-2,8-dimethyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-ium
C104-0030 Screening compound: 2-benzyl-2,8-dimethyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound C104-0030
2-benzyl-2,8-dimethyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-ium

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

C104-0030

Molecular Formula

C20H23N2 (C20 H23 N2)

Compound Name

2-benzyl-2,8-dimethyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-ium

IUPAC name

n/a

SMILES

Cc(cc1)cc2c1[nH]c1c2C[N+](C)(Cc2ccccc2)CC1

InChI

InChI=1S/C20H23N2/c1-15-8-9-19-17(12-15)18-14-22(2,11-10-20(18)21-19)13-16-6-4-3-5-7-16/h3-9,12,21H,10-11,13-14H2,1-2H3/q+1/t22-/m1/s1

InChI Key

WEKBYODVGZLSKM-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03010779

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

291.42

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.928

Distribution Coefficient, logD

3.928

Water Solubility, LogSw

-4.13

Polar Surface Area

11.157

Acid Dissociation Constant (pKa)

19.00

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

C104-0030 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C104-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C104-0030?
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What is the minimum amount of C104-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C104-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C104-0030
  • 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 C104-0030 available by request