C155-0532 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(4-methylcyclohexyl)formamido]pentanamide

C155-0532 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(4-methylcyclohexyl)formamido]pentanamide
C155-0532 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(4-methylcyclohexyl)formamido]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C155-0532
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(4-methylcyclohexyl)formamido]pentanamide

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

C155-0532

Molecular Formula

C22H32N2O4 (C22 H32 N2 O4)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(4-methylcyclohexyl)formamido]pentanamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-4-methyl-2-[(4-methylcyclohexyl)formamido]pentanamide

SMILES

CC(C)CC(C(Nc(cc1)cc2c1OCCO2)=O)NC(C1CCC(C)CC1)=O

InChI

InChI=1S/C22H32N2O4/c1-14(2)12-18(24-21(25)16-6-4-15(3)5-7-16)22(26)23-17-8-9-19-20(13-17)28-11-10-27-19/h8-9,13-16,18H,4-7,10-12H2,1-3H3,(H,23,26)(H,24,25)/t15?,16?,18-/m0/s1

InChI Key

UVIVAHYTVKQEJQ-HTWSVDAQSA-N

MDL Number (MFCD)

MFCD08685627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.063

Distribution Coefficient, logD

4.063

Water Solubility, LogSw

-4.02

Polar Surface Area

63.660

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

C155-0532 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D

References: we are preparing a list of scientific research reports with C155-0532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C155-0532?
Check Price and Availability of C155-0532, 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 C155-0532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C155-0532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C155-0532
  • 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 C155-0532 available by request