Y041-8622 Screening compound: N-[2-(6-bromo-1H-indol-1-yl)ethyl]-3,4,5-trimethoxybenzamide

Y041-8622 Screening compound: N-[2-(6-bromo-1H-indol-1-yl)ethyl]-3,4,5-trimethoxybenzamide
Y041-8622 Screening compound: N-[2-(6-bromo-1H-indol-1-yl)ethyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8622
N-[2-(6-bromo-1H-indol-1-yl)ethyl]-3,4,5-trimethoxybenzamide

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

Y041-8622

Molecular Formula

C20H21BrN2O4 (C20 H21 BrN2 O4)

Compound Name

N-[2-(6-bromo-1H-indol-1-yl)ethyl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[2-(6-bromo-1H-indol-1-yl)ethyl]-345-trimethoxybenzamide

SMILES

COc1cc(C(NCCn(cc2)c3c2ccc(Br)c3)=O)cc(OC)c1OC

InChI

InChI=1S/C20H21BrN2O4/c1-25-17-10-14(11-18(26-2)19(17)27-3)20(24)22-7-9-23-8-6-13-4-5-15(21)12-16(13)23/h4-6,8,10-12H,7,9H2,1-3H3,(H,22,24)

InChI Key

LVXDJUYWZLJZTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20537085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.735

Distribution Coefficient, logD

3.735

Water Solubility, LogSw

-3.99

Polar Surface Area

49.560

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y041-8622 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-8622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8622?
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What is the minimum amount of Y041-8622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8622
  • 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 Y041-8622 available by request