F379-1591 Screening compound: 4-(azepane-1-sulfonyl)-3,5-dimethyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide

F379-1591 Screening compound: 4-(azepane-1-sulfonyl)-3,5-dimethyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
F379-1591 Screening compound: 4-(azepane-1-sulfonyl)-3,5-dimethyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F379-1591
4-(azepane-1-sulfonyl)-3,5-dimethyl-N-[(pyridin-3-yl)methyl]-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

F379-1591

Molecular Formula

C19H26N4O3S (C19 H26 N4 O3 S)

Compound Name

4-(azepane-1-sulfonyl)-3,5-dimethyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide

IUPAC name

4-(azepane-1-sulfonyl)-35-dimethyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide

SMILES

Cc1c(C(NCc2cnccc2)=O)[nH]c(C)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C19H26N4O3S/c1-14-17(19(24)21-13-16-8-7-9-20-12-16)22-15(2)18(14)27(25,26)23-10-5-3-4-6-11-23/h7-9,12,22H,3-6,10-11,13H2,1-2H3,(H,21,24)

InChI Key

YAXKVUCSFKEYON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27121434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.728

Distribution Coefficient, logD

1.728

Water Solubility, LogSw

-1.90

Polar Surface Area

77.193

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

F379-1591 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F379-1591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F379-1591?
Check Price and Availability of F379-1591, 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 F379-1591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F379-1591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F379-1591
  • 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 F379-1591 available by request