D090-0069 Screening compound: 1-(4-chlorophenyl)-3-methyl[1]benzofuro[3,2-c]pyridin-8-yl methyl ether

D090-0069 Screening compound: 1-(4-chlorophenyl)-3-methyl[1]benzofuro[3,2-c]pyridin-8-yl methyl ether
D090-0069 Screening compound: 1-(4-chlorophenyl)-3-methyl[1]benzofuro[3,2-c]pyridin-8-yl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D090-0069
1-(4-chlorophenyl)-3-methyl[1]benzofuro[3,2-c]pyridin-8-yl methyl ether

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

D090-0069

Molecular Formula

C19H14ClNO2 (C19 H14 ClNO2)

Compound Name

1-(4-chlorophenyl)-3-methyl[1]benzofuro[3,2-c]pyridin-8-yl methyl ether

IUPAC name

3-(4-chlorophenyl)-12-methoxy-5-methyl-8-oxa-4-azatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaene

SMILES

Cc1cc(oc(cc2)c3cc2OC)c3c(-c(cc2)ccc2Cl)n1

InChI

InChI=1S/C19H14ClNO2/c1-11-9-17-18(15-10-14(22-2)7-8-16(15)23-17)19(21-11)12-3-5-13(20)6-4-12/h3-10H,1-2H3

InChI Key

ZRVCBAZESHRIFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02945624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.78

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.273

Distribution Coefficient, logD

5.228

Water Solubility, LogSw

-6.15

Polar Surface Area

24.618

Acid Dissociation Constant (pKa)

29.94

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D090-0069 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D090-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D090-0069?
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What is the minimum amount of D090-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D090-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D090-0069
  • 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 D090-0069 available by request