Y041-5104 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[(4,6-dimethoxy-1-methyl-1H-indol-2-yl)formamido]propanamide

Y041-5104 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[(4,6-dimethoxy-1-methyl-1H-indol-2-yl)formamido]propanamide
Y041-5104 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[(4,6-dimethoxy-1-methyl-1H-indol-2-yl)formamido]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5104
N-(3-chloro-4-methoxyphenyl)-2-[(4,6-dimethoxy-1-methyl-1H-indol-2-yl)formamido]propanamide

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

Y041-5104

Molecular Formula

C22H24ClN3O5 (C22 H24 ClN3 O5)

Compound Name

N-(3-chloro-4-methoxyphenyl)-2-[(4,6-dimethoxy-1-methyl-1H-indol-2-yl)formamido]propanamide

IUPAC name

(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(46-dimethoxy-1-methyl-1H-indol-2-yl)formamido]propanamide

SMILES

C[C@H](C(Nc(cc1)cc(Cl)c1OC)=O)NC(c1cc(c(OC)cc(OC)c2)c2n1C)=O

InChI

InChI=1S/C22H24ClN3O5/c1-12(21(27)25-13-6-7-19(30-4)16(23)8-13)24-22(28)18-11-15-17(26(18)2)9-14(29-3)10-20(15)31-5/h6-12H,1-5H3,(H,24,28)(H,25,27)/t12-/m1/s1

InChI Key

RYDLRSMAIGRWCO-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

3.373

Water Solubility, LogSw

-3.75

Polar Surface Area

71.518

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

Y041-5104 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

SH2 Library (10483 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Endocrine
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-5104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5104?
Check Price and Availability of Y041-5104, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y041-5104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5104
  • 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 Y041-5104 available by request