C700-2069 Screening compound: 2-(2,3-diethoxyphenyl)-1-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}ethan-1-one

C700-2069 Screening compound: 2-(2,3-diethoxyphenyl)-1-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}ethan-1-one
C700-2069 Screening compound: 2-(2,3-diethoxyphenyl)-1-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-2069
2-(2,3-diethoxyphenyl)-1-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}ethan-1-one

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

C700-2069

Molecular Formula

C30H32N2O3S (C30 H32 N2 O3 S)

Compound Name

2-(2,3-diethoxyphenyl)-1-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}ethan-1-one

IUPAC name

2-(23-diethoxyphenyl)-1-{1-[4-(methylsulfanyl)phenyl]-1H2H3H4H9H-pyrido[34-b]indol-2-yl}ethan-1-one

SMILES

CCOc1cccc(CC(N(CCc2c3[nH]c4c2cccc4)C3c(cc2)ccc2SC)=O)c1OCC

InChI

InChI=1S/C30H32N2O3S/c1-4-34-26-12-8-9-21(30(26)35-5-2)19-27(33)32-18-17-24-23-10-6-7-11-25(23)31-28(24)29(32)20-13-15-22(36-3)16-14-20/h6-16,29,31H,4-5,17-19H2,1-3H3/t29-/m1/s1

InChI Key

WVMYASHEBFVNCR-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD14785796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.887

Distribution Coefficient, logD

6.887

Water Solubility, LogSw

-6.11

Polar Surface Area

40.051

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

C700-2069 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C700-2069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-2069?
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What is the minimum amount of C700-2069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-2069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-2069
  • 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 C700-2069 available by request