D653-0103 Screening compound: 1-[(pyridin-4-yl)methyl]-4-(3,4,6-trimethyl-1-benzofuran-2-carbonyl)piperazine

D653-0103 Screening compound: 1-[(pyridin-4-yl)methyl]-4-(3,4,6-trimethyl-1-benzofuran-2-carbonyl)piperazine
D653-0103 Screening compound: 1-[(pyridin-4-yl)methyl]-4-(3,4,6-trimethyl-1-benzofuran-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D653-0103
1-[(pyridin-4-yl)methyl]-4-(3,4,6-trimethyl-1-benzofuran-2-carbonyl)piperazine

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

D653-0103

Molecular Formula

C22H25N3O2 (C22 H25 N3 O2)

Compound Name

1-[(pyridin-4-yl)methyl]-4-(3,4,6-trimethyl-1-benzofuran-2-carbonyl)piperazine

IUPAC name

1-[(pyridin-4-yl)methyl]-4-(346-trimethyl-1-benzofuran-2-carbonyl)piperazine

SMILES

Cc1c(C(N2CCN(Cc3ccncc3)CC2)=O)oc2c1c(C)cc(C)c2

InChI

InChI=1S/C22H25N3O2/c1-15-12-16(2)20-17(3)21(27-19(20)13-15)22(26)25-10-8-24(9-11-25)14-18-4-6-23-7-5-18/h4-7,12-13H,8-11,14H2,1-3H3

InChI Key

CYXONSYRJMWJPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.193

Distribution Coefficient, logD

3.169

Water Solubility, LogSw

-2.98

Polar Surface Area

38.381

Acid Dissociation Constant (pKa)

27.55

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D653-0103 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with D653-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D653-0103?
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What is the minimum amount of D653-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D653-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D653-0103
  • 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 D653-0103 available by request