C607-1031 Screening compound: 4-(5-chloro-2-methylphenyl)-N-phenylmethanesulfonylpiperazine-1-carboximidamide

C607-1031 Screening compound: 4-(5-chloro-2-methylphenyl)-N-phenylmethanesulfonylpiperazine-1-carboximidamide
C607-1031 Screening compound: 4-(5-chloro-2-methylphenyl)-N-phenylmethanesulfonylpiperazine-1-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C607-1031
4-(5-chloro-2-methylphenyl)-N-phenylmethanesulfonylpiperazine-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

C607-1031

Molecular Formula

C19H23ClN4O2S (C19 H23 ClN4 O2 S)

Compound Name

4-(5-chloro-2-methylphenyl)-N-phenylmethanesulfonylpiperazine-1-carboximidamide

IUPAC name

4-(5-chloro-2-methylphenyl)-N-phenylmethanesulfonylpiperazine-1-carboximidamide

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(NS(Cc1ccccc1)(=O)=O)=N

InChI

InChI=1S/C19H23ClN4O2S/c1-15-7-8-17(20)13-18(15)23-9-11-24(12-10-23)19(21)22-27(25,26)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H2,21,22)

InChI Key

WVSILNJDAIZZHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.423

Distribution Coefficient, logD

3.423

Water Solubility, LogSw

-3.82

Polar Surface Area

66.584

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C607-1031 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 C607-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C607-1031?
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What is the minimum amount of C607-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C607-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C607-1031
  • 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 C607-1031 available by request