Y043-5622 Screening compound: N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]acetamide

Y043-5622 Screening compound: N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]acetamide
Y043-5622 Screening compound: N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5622
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-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

Y043-5622

Molecular Formula

C20H24N4O3 (C20 H24 N4 O3)

Compound Name

N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]acetamide

IUPAC name

N-(13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)-2-[4-(1H-pyrrol-1-yl)oxan-4-yl]acetamide

SMILES

CN(c(ccc(NC(CC1(CCOCC1)n1cccc1)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C20H24N4O3/c1-22-16-6-5-15(13-17(16)23(2)19(22)26)21-18(25)14-20(7-11-27-12-8-20)24-9-3-4-10-24/h3-6,9-10,13H,7-8,11-12,14H2,1-2H3,(H,21,25)

InChI Key

IMGJREWKOGXJAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29057455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.242

Distribution Coefficient, logD

2.242

Water Solubility, LogSw

-2.97

Polar Surface Area

52.476

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y043-5622 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 Y043-5622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5622?
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What is the minimum amount of Y043-5622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5622
  • 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 Y043-5622 available by request