D339-0601 Screening compound: 1-(6-bromo-3-methyl-1-benzofuran-2-carbonyl)-4-[2-(pyridin-4-yl)ethyl]piperazine

D339-0601 Screening compound: 1-(6-bromo-3-methyl-1-benzofuran-2-carbonyl)-4-[2-(pyridin-4-yl)ethyl]piperazine
D339-0601 Screening compound: 1-(6-bromo-3-methyl-1-benzofuran-2-carbonyl)-4-[2-(pyridin-4-yl)ethyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D339-0601
1-(6-bromo-3-methyl-1-benzofuran-2-carbonyl)-4-[2-(pyridin-4-yl)ethyl]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

D339-0601

Molecular Formula

C21H22BrN3O2 (C21 H22 BrN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(N2CCN(CCc3ccncc3)CC2)=O)oc2c1ccc(Br)c2

InChI

InChI=1S/C21H22BrN3O2/c1-15-18-3-2-17(22)14-19(18)27-20(15)21(26)25-12-10-24(11-13-25)9-6-16-4-7-23-8-5-16/h2-5,7-8,14H,6,9-13H2,1H3

InChI Key

PODKEYYNPVLWJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12915874

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

428.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.447

Distribution Coefficient, logD

3.417

Water Solubility, LogSw

-3.54

Polar Surface Area

38.360

Acid Dissociation Constant (pKa)

27.29

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D339-0601 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D339-0601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D339-0601?
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What is the minimum amount of D339-0601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D339-0601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D339-0601
  • 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 D339-0601 available by request