Y050-3072 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4,5-dimethoxy-2-(N-methylmethanesulfonamido)benzamide

Y050-3072 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4,5-dimethoxy-2-(N-methylmethanesulfonamido)benzamide
Y050-3072 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4,5-dimethoxy-2-(N-methylmethanesulfonamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-3072
N-[2-(cyclohex-1-en-1-yl)ethyl]-4,5-dimethoxy-2-(N-methylmethanesulfonamido)benzamide

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

Y050-3072

Molecular Formula

C19H28N2O5S (C19 H28 N2 O5 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4,5-dimethoxy-2-(N-methylmethanesulfonamido)benzamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-45-dimethoxy-2-(N-methylmethanesulfonamido)benzamide

SMILES

CN(c(cc(c(OC)c1)OC)c1C(NCCC1=CCCCC1)=O)S(C)(=O)=O

InChI

InChI=1S/C19H28N2O5S/c1-21(27(4,23)24)16-13-18(26-3)17(25-2)12-15(16)19(22)20-11-10-14-8-6-5-7-9-14/h8,12-13H,5-7,9-11H2,1-4H3,(H,20,22)

InChI Key

ZGEGSFYXIKMJAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09671089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.525

Distribution Coefficient, logD

2.525

Water Solubility, LogSw

-2.88

Polar Surface Area

72.230

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

Y050-3072 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y050-3072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-3072?
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What is the minimum amount of Y050-3072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-3072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-3072
  • 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 Y050-3072 available by request