Y080-1649 Screening compound: 4-(1-hexadecyl-1H-1,3-benzimidazol-2-yl)-1-(2-methylphenyl)-2-pyrrolidinone

Y080-1649 Screening compound: 4-(1-hexadecyl-1H-1,3-benzimidazol-2-yl)-1-(2-methylphenyl)-2-pyrrolidinone
Y080-1649 Screening compound: 4-(1-hexadecyl-1H-1,3-benzimidazol-2-yl)-1-(2-methylphenyl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1649
4-(1-hexadecyl-1H-1,3-benzimidazol-2-yl)-1-(2-methylphenyl)-2-pyrrolidinone

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

Y080-1649

Molecular Formula

C34H49N3O (C34 H49 N3 O)

Compound Name

4-(1-hexadecyl-1H-1,3-benzimidazol-2-yl)-1-(2-methylphenyl)-2-pyrrolidinone

IUPAC name

4-(1-hexadecyl-1H-13-benzodiazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one

SMILES

CCCCCCCCCCCCCCCCn1c(cccc2)c2nc1C(CC1=O)CN1c1c(C)cccc1

InChI

InChI=1S/C34H49N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-36-32-24-19-17-22-30(32)35-34(36)29-26-33(38)37(27-29)31-23-18-16-21-28(31)2/h16-19,21-24,29H,3-15,20,25-27H2,1-2H3/t29-/m1/s1

InChI Key

KSLQRZIXXZFYLO-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD07413961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.78

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

10.920

Distribution Coefficient, logD

10.920

Water Solubility, LogSw

-5.72

Polar Surface Area

26.594

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

Y080-1649 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y080-1649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1649?
Check Price and Availability of Y080-1649, 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 Y080-1649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1649
  • 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 Y080-1649 available by request