D715-2058 Screening compound: N-[3-(4-methoxybenzenesulfonyl)-4,5-dimethyl-1-propyl-1H-pyrrol-2-yl]oxolane-2-carboxamide

D715-2058 Screening compound: N-[3-(4-methoxybenzenesulfonyl)-4,5-dimethyl-1-propyl-1H-pyrrol-2-yl]oxolane-2-carboxamide
D715-2058 Screening compound: N-[3-(4-methoxybenzenesulfonyl)-4,5-dimethyl-1-propyl-1H-pyrrol-2-yl]oxolane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-2058
N-[3-(4-methoxybenzenesulfonyl)-4,5-dimethyl-1-propyl-1H-pyrrol-2-yl]oxolane-2-carboxamide

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

D715-2058

Molecular Formula

C21H28N2O5S (C21 H28 N2 O5 S)

Compound Name

N-[3-(4-methoxybenzenesulfonyl)-4,5-dimethyl-1-propyl-1H-pyrrol-2-yl]oxolane-2-carboxamide

IUPAC name

N-[3-(4-methoxybenzenesulfonyl)-45-dimethyl-1-propyl-1H-pyrrol-2-yl]oxolane-2-carboxamide

SMILES

CCCn(c(C)c1C)c(NC(C2OCCC2)=O)c1S(c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C21H28N2O5S/c1-5-12-23-15(3)14(2)19(20(23)22-21(24)18-7-6-13-28-18)29(25,26)17-10-8-16(27-4)9-11-17/h8-11,18H,5-7,12-13H2,1-4H3,(H,22,24)/t18-/m0/s1

InChI Key

ZJNCXSMVZOAJPY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD12201132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.954

Distribution Coefficient, logD

2.946

Water Solubility, LogSw

-3.50

Polar Surface Area

70.406

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

D715-2058 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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 D715-2058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-2058?
Check Price and Availability of D715-2058, 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 D715-2058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-2058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-2058
  • 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 D715-2058 available by request