D715-2096 Screening compound: N-[4,5-dimethyl-3-(4-methylbenzenesulfonyl)-1-propyl-1H-pyrrol-2-yl]-3-methylbutanamide

D715-2096 Screening compound: N-[4,5-dimethyl-3-(4-methylbenzenesulfonyl)-1-propyl-1H-pyrrol-2-yl]-3-methylbutanamide
D715-2096 Screening compound: N-[4,5-dimethyl-3-(4-methylbenzenesulfonyl)-1-propyl-1H-pyrrol-2-yl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-2096
N-[4,5-dimethyl-3-(4-methylbenzenesulfonyl)-1-propyl-1H-pyrrol-2-yl]-3-methylbutanamide

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

D715-2096

Molecular Formula

C21H30N2O3S (C21 H30 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCn(c(C)c1C)c(NC(CC(C)C)=O)c1S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C21H30N2O3S/c1-7-12-23-17(6)16(5)20(21(23)22-19(24)13-14(2)3)27(25,26)18-10-8-15(4)9-11-18/h8-11,14H,7,12-13H2,1-6H3,(H,22,24)

InChI Key

PICFRTITPQZUNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09853659

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

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.566

Distribution Coefficient, logD

4.558

Water Solubility, LogSw

-4.14

Polar Surface Area

54.508

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with D715-2096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-2096?
Check Price and Availability of D715-2096, 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 D715-2096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-2096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-2096
  • 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 D715-2096 available by request