D715-2108 Screening compound: N-[4,5-dimethyl-3-(4-methylbenzenesulfonyl)-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]pentanamide

D715-2108 Screening compound: N-[4,5-dimethyl-3-(4-methylbenzenesulfonyl)-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]pentanamide
D715-2108 Screening compound: N-[4,5-dimethyl-3-(4-methylbenzenesulfonyl)-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-2108
N-[4,5-dimethyl-3-(4-methylbenzenesulfonyl)-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]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

D715-2108

Molecular Formula

C21H28N2O3S (C21 H28 N2 O3 S)

Compound Name

N-[4,5-dimethyl-3-(4-methylbenzenesulfonyl)-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]pentanamide

IUPAC name

N-[45-dimethyl-3-(4-methylbenzenesulfonyl)-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]pentanamide

SMILES

CCCCC(Nc(n(CC=C)c(C)c1C)c1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C21H28N2O3S/c1-6-8-9-19(24)22-21-20(16(4)17(5)23(21)14-7-2)27(25,26)18-12-10-15(3)11-13-18/h7,10-13H,2,6,8-9,14H2,1,3-5H3,(H,22,24)

InChI Key

MWWWKQQZAMLKNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09857092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.211

Distribution Coefficient, logD

4.205

Water Solubility, LogSw

-4.03

Polar Surface Area

54.508

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D715-2108 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D715-2108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-2108?
Check Price and Availability of D715-2108, 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 D715-2108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-2108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-2108
  • 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 D715-2108 available by request