E511-4156 Screening compound: N-(2,3-DIMETHYLCYCLOHEXYL)-4-(PIPERIDINE-1-SULFONYL)-1H-PYRROLE-2-CARBOXAMIDE

E511-4156 Screening compound: N-(2,3-DIMETHYLCYCLOHEXYL)-4-(PIPERIDINE-1-SULFONYL)-1H-PYRROLE-2-CARBOXAMIDE
E511-4156 Screening compound: N-(2,3-DIMETHYLCYCLOHEXYL)-4-(PIPERIDINE-1-SULFONYL)-1H-PYRROLE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-4156
N-(2,3-DIMETHYLCYCLOHEXYL)-4-(PIPERIDINE-1-SULFONYL)-1H-PYRROLE-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

E511-4156

Molecular Formula

C18H29N3O3S (C18 H29 N3 O3 S)

Compound Name

N-(2,3-DIMETHYLCYCLOHEXYL)-4-(PIPERIDINE-1-SULFONYL)-1H-PYRROLE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(CCC1)C(C)C1NC(c1cc(S(N2CCCCC2)(=O)=O)c[nH]1)=O

InChI

InChI=1S/C18H29N3O3S/c1-13-7-6-8-16(14(13)2)20-18(22)17-11-15(12-19-17)25(23,24)21-9-4-3-5-10-21/h11-14,16,19H,3-10H2,1-2H3,(H,20,22)

InChI Key

LWXWKZGAWYEOCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.592

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-2.98

Polar Surface Area

66.634

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

72.20

E511-4156 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E511-4156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-4156?
Check Price and Availability of E511-4156, 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 E511-4156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-4156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-4156
  • 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 E511-4156 available by request