Y080-1963 Screening compound: N~1~-(2-{1-[3-(1-naphthyloxy)propyl]-1H-1,3-benzimidazol-2-yl}ethyl)-1-cyclohexanecarboxamide

Y080-1963 Screening compound: N~1~-(2-{1-[3-(1-naphthyloxy)propyl]-1H-1,3-benzimidazol-2-yl}ethyl)-1-cyclohexanecarboxamide
Y080-1963 Screening compound: N~1~-(2-{1-[3-(1-naphthyloxy)propyl]-1H-1,3-benzimidazol-2-yl}ethyl)-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1963
N~1~-(2-{1-[3-(1-naphthyloxy)propyl]-1H-1,3-benzimidazol-2-yl}ethyl)-1-cyclohexanecarboxamide

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

Y080-1963

Molecular Formula

C29H33N3O2 (C29 H33 N3 O2)

Compound Name

N~1~-(2-{1-[3-(1-naphthyloxy)propyl]-1H-1,3-benzimidazol-2-yl}ethyl)-1-cyclohexanecarboxamide

IUPAC name

N-(2-{1-[3-(naphthalen-1-yloxy)propyl]-1H-13-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)NCCc1nc(cccc2)c2n1CCCOc1cccc2ccccc12

InChI

InChI=1S/C29H33N3O2/c33-29(23-11-2-1-3-12-23)30-19-18-28-31-25-15-6-7-16-26(25)32(28)20-9-21-34-27-17-8-13-22-10-4-5-14-24(22)27/h4-8,10,13-17,23H,1-3,9,11-12,18-21H2,(H,30,33)

InChI Key

WJRVDPBQMGPOSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07440460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.491

Distribution Coefficient, logD

6.489

Water Solubility, LogSw

-7.01

Polar Surface Area

42.801

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.93

Y080-1963 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with Y080-1963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1963?
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What is the minimum amount of Y080-1963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1963
  • 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 Y080-1963 available by request