8115-0130 Screening compound: 4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]benzene-1-sulfonamide

8115-0130 Screening compound: 4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]benzene-1-sulfonamide
8115-0130 Screening compound: 4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8115-0130
4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]benzene-1-sulfonamide

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

8115-0130

Molecular Formula

C14H16ClN3O3S (C14 H16 ClN3 O3 S)

Compound Name

4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]benzene-1-sulfonamide

IUPAC name

4-chloro-N-[3-(35-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]benzene-1-sulfonamide

SMILES

Cc1cc(C)nn1C(CCNS(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C14H16ClN3O3S/c1-10-9-11(2)18(17-10)14(19)7-8-16-22(20,21)13-5-3-12(15)4-6-13/h3-6,9,16H,7-8H2,1-2H3

InChI Key

QKVSREHVFLHXAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06634151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.82

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.717

Distribution Coefficient, logD

1.717

Water Solubility, LogSw

-2.93

Polar Surface Area

68.650

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8115-0130 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 8115-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8115-0130?
Check Price and Availability of 8115-0130, 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 8115-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8115-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8115-0130
  • 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 8115-0130 available by request