F379-1582 Screening compound: 4-(azepane-1-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

F379-1582 Screening compound: 4-(azepane-1-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
F379-1582 Screening compound: 4-(azepane-1-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F379-1582
4-(azepane-1-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-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

F379-1582

Molecular Formula

C21H33N3O3S (C21 H33 N3 O3 S)

Compound Name

4-(azepane-1-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

IUPAC name

4-(azepane-1-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-35-dimethyl-1H-pyrrole-2-carboxamide

SMILES

Cc1c(C(NCCC2=CCCCC2)=O)[nH]c(C)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C21H33N3O3S/c1-16-19(21(25)22-13-12-18-10-6-5-7-11-18)23-17(2)20(16)28(26,27)24-14-8-3-4-9-15-24/h10,23H,3-9,11-15H2,1-2H3,(H,22,25)

InChI Key

QMPNXPCAWZYIEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27121431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.260

Distribution Coefficient, logD

3.260

Water Solubility, LogSw

-3.32

Polar Surface Area

67.709

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

F379-1582 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 F379-1582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F379-1582?
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What is the minimum amount of F379-1582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F379-1582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F379-1582
  • 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 F379-1582 available by request