Y043-4616 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-2-methylpropyl]-2-(3-isobutyl-4-oxo-3,4-dihydro-1-phthalazinyl)acetamide

Y043-4616 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-2-methylpropyl]-2-(3-isobutyl-4-oxo-3,4-dihydro-1-phthalazinyl)acetamide
Y043-4616 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-2-methylpropyl]-2-(3-isobutyl-4-oxo-3,4-dihydro-1-phthalazinyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-4616
N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-2-methylpropyl]-2-(3-isobutyl-4-oxo-3,4-dihydro-1-phthalazinyl)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

Y043-4616

Molecular Formula

C25H29N5O2 (C25 H29 N5 O2)

Compound Name

N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-2-methylpropyl]-2-(3-isobutyl-4-oxo-3,4-dihydro-1-phthalazinyl)acetamide

IUPAC name

N-[(1S)-1-(1H-13-benzodiazol-2-yl)-2-methylpropyl]-2-[3-(2-methylpropyl)-4-oxo-34-dihydrophthalazin-1-yl]acetamide

SMILES

CC(C)CN1N=C(CC(NC(C(C)C)c2nc(cccc3)c3[nH]2)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C25H29N5O2/c1-15(2)14-30-25(32)18-10-6-5-9-17(18)21(29-30)13-22(31)28-23(16(3)4)24-26-19-11-7-8-12-20(19)27-24/h5-12,15-16,23H,13-14H2,1-4H3,(H,26,27)(H,28,31)/t23-/m0/s1

InChI Key

VLASAOWXBYAFFN-QHCPKHFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.644

Distribution Coefficient, logD

3.643

Water Solubility, LogSw

-4.00

Polar Surface Area

70.485

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

Y043-4616 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y043-4616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-4616?
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What is the minimum amount of Y043-4616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-4616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-4616
  • 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 Y043-4616 available by request