Y043-5026 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-methylbutyl]-3-(1H-indol-1-yl)propanamide

Y043-5026 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-methylbutyl]-3-(1H-indol-1-yl)propanamide
Y043-5026 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-methylbutyl]-3-(1H-indol-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5026
N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-methylbutyl]-3-(1H-indol-1-yl)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

Y043-5026

Molecular Formula

C23H26N4O (C23 H26 N4 O)

Compound Name

N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-methylbutyl]-3-(1H-indol-1-yl)propanamide

IUPAC name

N-[(1S)-1-(1H-13-benzodiazol-2-yl)-3-methylbutyl]-3-(1H-indol-1-yl)propanamide

SMILES

CC(C)CC(c1nc(cccc2)c2[nH]1)NC(CCn(cc1)c2c1cccc2)=O

InChI

InChI=1S/C23H26N4O/c1-16(2)15-20(23-25-18-8-4-5-9-19(18)26-23)24-22(28)12-14-27-13-11-17-7-3-6-10-21(17)27/h3-11,13,16,20H,12,14-15H2,1-2H3,(H,24,28)(H,25,26)/t20-/m0/s1

InChI Key

CFYPLRKKQMMZAI-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.721

Distribution Coefficient, logD

4.720

Water Solubility, LogSw

-4.67

Polar Surface Area

45.449

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

Y043-5026 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y043-5026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5026?
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What is the minimum amount of Y043-5026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5026
  • 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 Y043-5026 available by request