8009-4831 Screening compound: 1-(4-ethoxyphenyl)-2-(2-methylbenzoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

8009-4831 Screening compound: 1-(4-ethoxyphenyl)-2-(2-methylbenzoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole
8009-4831 Screening compound: 1-(4-ethoxyphenyl)-2-(2-methylbenzoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4831
1-(4-ethoxyphenyl)-2-(2-methylbenzoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

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

8009-4831

Molecular Formula

C27H26N2O2 (C27 H26 N2 O2)

Compound Name

1-(4-ethoxyphenyl)-2-(2-methylbenzoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

IUPAC name

1-(4-ethoxyphenyl)-2-(2-methylbenzoyl)-1H2H3H4H9H-pyrido[34-b]indole

SMILES

CCOc1ccc(C(c2c(CC3)c(cccc4)c4[nH]2)N3C(c2c(C)cccc2)=O)cc1

InChI

InChI=1S/C27H26N2O2/c1-3-31-20-14-12-19(13-15-20)26-25-23(22-10-6-7-11-24(22)28-25)16-17-29(26)27(30)21-9-5-4-8-18(21)2/h4-15,26,28H,3,16-17H2,1-2H3/t26-/m1/s1

InChI Key

RDUJUPNTEPDOHH-AREMUKBSSA-N

MDL Number (MFCD)

MFCD01508358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.750

Distribution Coefficient, logD

5.750

Water Solubility, LogSw

-5.77

Polar Surface Area

33.195

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8009-4831 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8009-4831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4831?
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What is the minimum amount of 8009-4831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4831
  • 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 8009-4831 available by request