D715-2095 Screening compound: N-[4,5-dimethyl-3-(4-methylbenzenesulfonyl)-1-propyl-1H-pyrrol-2-yl]pentanamide

D715-2095 Screening compound: N-[4,5-dimethyl-3-(4-methylbenzenesulfonyl)-1-propyl-1H-pyrrol-2-yl]pentanamide
D715-2095 Screening compound: N-[4,5-dimethyl-3-(4-methylbenzenesulfonyl)-1-propyl-1H-pyrrol-2-yl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-2095
N-[4,5-dimethyl-3-(4-methylbenzenesulfonyl)-1-propyl-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

D715-2095

Molecular Formula

C21H30N2O3S (C21 H30 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H30N2O3S/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/h10-13H,6-9,14H2,1-5H3,(H,22,24)

InChI Key

OWTIPIADTHGFMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09850314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.55

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

4.456

Distribution Coefficient, logD

4.451

Water Solubility, LogSw

-4.06

Polar Surface Area

54.508

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

D715-2095 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 D715-2095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-2095?
Check Price and Availability of D715-2095, 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 D715-2095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-2095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-2095
  • 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 D715-2095 available by request