8018-4222 Screening compound: 1-(3,4-dimethoxyphenyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

8018-4222 Screening compound: 1-(3,4-dimethoxyphenyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole
8018-4222 Screening compound: 1-(3,4-dimethoxyphenyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4222
1-(3,4-dimethoxyphenyl)-6-methoxy-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

8018-4222

Molecular Formula

C20H22N2O3 (C20 H22 N2 O3)

Compound Name

1-(3,4-dimethoxyphenyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

IUPAC name

1-(34-dimethoxyphenyl)-6-methoxy-1H2H3H4H9H-pyrido[34-b]indole

SMILES

COc(cc1)cc2c1[nH]c1c2CCNC1c(cc1)cc(OC)c1OC

InChI

InChI=1S/C20H22N2O3/c1-23-13-5-6-16-15(11-13)14-8-9-21-19(20(14)22-16)12-4-7-17(24-2)18(10-12)25-3/h4-7,10-11,19,21-22H,8-9H2,1-3H3/t19-/m1/s1

InChI Key

SCGLZZUIPFWLDI-LJQANCHMSA-N

MDL Number (MFCD)

MFCD02612693

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.687

Distribution Coefficient, logD

0.946

Water Solubility, LogSw

-3.10

Polar Surface Area

45.173

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8018-4222 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8018-4222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4222?
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What is the minimum amount of 8018-4222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4222
  • 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 8018-4222 available by request