6024-0157 Screening compound: (Z)-N,N-diethyl-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

6024-0157 Screening compound: (Z)-N,N-diethyl-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide
6024-0157 Screening compound: (Z)-N,N-diethyl-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6024-0157
(Z)-N,N-diethyl-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

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

6024-0157

Molecular Formula

C18H21FN2O2S (C18 H21 FN2 O2 S)

Compound Name

(Z)-N,N-diethyl-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

IUPAC name

(Z)-NN-diethyl-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

SMILES

CCN(CC)/C(/c(cc1)ccc1F)=N\S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C18H21FN2O2S/c1-4-21(5-2)18(15-8-10-16(19)11-9-15)20-24(22,23)17-12-6-14(3)7-13-17/h6-13H,4-5H2,1-3H3

InChI Key

DBORXDVUYBNTQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.245

Distribution Coefficient, logD

4.245

Water Solubility, LogSw

-4.15

Polar Surface Area

41.977

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

6024-0157 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6024-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6024-0157?
Check Price and Availability of 6024-0157, 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 6024-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6024-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6024-0157
  • 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 6024-0157 available by request