Y041-4275 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-bromo-1H-indol-1-yl)acetamide

Y041-4275 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-bromo-1H-indol-1-yl)acetamide
Y041-4275 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-bromo-1H-indol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4275
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-bromo-1H-indol-1-yl)acetamide

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

Y041-4275

Molecular Formula

C18H15BrN2O3 (C18 H15 BrN2 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-bromo-1H-indol-1-yl)acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-(6-bromo-1H-indol-1-yl)acetamide

SMILES

O=C(Cn(cc1)c2c1ccc(Br)c2)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C18H15BrN2O3/c19-14-3-2-13-5-6-21(15(13)8-14)10-18(22)20-9-12-1-4-16-17(7-12)24-11-23-16/h1-8H,9-11H2,(H,20,22)

InChI Key

IOITZPDDUWWLIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12207771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.871

Distribution Coefficient, logD

3.871

Water Solubility, LogSw

-4.09

Polar Surface Area

43.664

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

Y041-4275 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y041-4275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4275?
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What is the minimum amount of Y041-4275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4275
  • 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 Y041-4275 available by request