Y044-4832 Screening compound: N~1~-{2-[2-(hydroxymethyl)-1H-1,3-benzimidazol-1-yl]ethyl}-2-{[1-(2-methoxyethyl)-1H-indol-4-yl]oxy}acetamide

Y044-4832 Screening compound: N~1~-{2-[2-(hydroxymethyl)-1H-1,3-benzimidazol-1-yl]ethyl}-2-{[1-(2-methoxyethyl)-1H-indol-4-yl]oxy}acetamide
Y044-4832 Screening compound: N~1~-{2-[2-(hydroxymethyl)-1H-1,3-benzimidazol-1-yl]ethyl}-2-{[1-(2-methoxyethyl)-1H-indol-4-yl]oxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-4832
N~1~-{2-[2-(hydroxymethyl)-1H-1,3-benzimidazol-1-yl]ethyl}-2-{[1-(2-methoxyethyl)-1H-indol-4-yl]oxy}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

Y044-4832

Molecular Formula

C23H26N4O4 (C23 H26 N4 O4)

Compound Name

N~1~-{2-[2-(hydroxymethyl)-1H-1,3-benzimidazol-1-yl]ethyl}-2-{[1-(2-methoxyethyl)-1H-indol-4-yl]oxy}acetamide

IUPAC name

N-{2-[2-(hydroxymethyl)-1H-13-benzodiazol-1-yl]ethyl}-2-{[1-(2-methoxyethyl)-1H-indol-4-yl]oxy}acetamide

SMILES

COCCn1c2cccc(OCC(NCCn3c(cccc4)c4nc3CO)=O)c2cc1

InChI

InChI=1S/C23H26N4O4/c1-30-14-13-26-11-9-17-19(26)7-4-8-21(17)31-16-23(29)24-10-12-27-20-6-3-2-5-18(20)25-22(27)15-28/h2-9,11,28H,10,12-16H2,1H3,(H,24,29)

InChI Key

OPHLAGQBKNLKAC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.990

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-2.30

Polar Surface Area

70.567

Acid Dissociation Constant (pKa)

14.55

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

Y044-4832 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 Y044-4832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-4832?
Check Price and Availability of Y044-4832, 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 Y044-4832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-4832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-4832
  • 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 Y044-4832 available by request