F379-1652 Screening compound: 1-{[5-(4-cyclohexylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]sulfonyl}azepane

F379-1652 Screening compound: 1-{[5-(4-cyclohexylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]sulfonyl}azepane
F379-1652 Screening compound: 1-{[5-(4-cyclohexylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]sulfonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound F379-1652
1-{[5-(4-cyclohexylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]sulfonyl}azepane

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

F379-1652

Molecular Formula

C23H38N4O3S (C23 H38 N4 O3 S)

Compound Name

1-{[5-(4-cyclohexylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]sulfonyl}azepane

IUPAC name

1-{[5-(4-cyclohexylpiperazine-1-carbonyl)-24-dimethyl-1H-pyrrol-3-yl]sulfonyl}azepane

SMILES

Cc1c(C(N(CC2)CCN2C2CCCCC2)=O)[nH]c(C)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C23H38N4O3S/c1-18-21(23(28)26-16-14-25(15-17-26)20-10-6-5-7-11-20)24-19(2)22(18)31(29,30)27-12-8-3-4-9-13-27/h20,24H,3-17H2,1-2H3

InChI Key

YFKRYKYNDCBCSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27121470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.089

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.23

Polar Surface Area

63.004

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

78.30

F379-1652 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 F379-1652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F379-1652?
Check Price and Availability of F379-1652, 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 F379-1652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F379-1652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F379-1652
  • 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 F379-1652 available by request