T002-0042 Screening compound: 4-{[4-(2-butynoyl)piperazino]carbonyl}-1-benzenesulfonamide

T002-0042 Screening compound: 4-{[4-(2-butynoyl)piperazino]carbonyl}-1-benzenesulfonamide
T002-0042 Screening compound: 4-{[4-(2-butynoyl)piperazino]carbonyl}-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T002-0042
4-{[4-(2-butynoyl)piperazino]carbonyl}-1-benzenesulfonamide

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

T002-0042

Molecular Formula

C15H17N3O4S (C15 H17 N3 O4 S)

Compound Name

4-{[4-(2-butynoyl)piperazino]carbonyl}-1-benzenesulfonamide

IUPAC name

4-[4-(but-2-ynoyl)piperazine-1-carbonyl]benzene-1-sulfonamide

SMILES

CC#CC(N(CC1)CCN1C(c(cc1)ccc1S(N)(=O)=O)=O)=O

InChI

InChI=1S/C15H17N3O4S/c1-2-3-14(19)17-8-10-18(11-9-17)15(20)12-4-6-13(7-5-12)23(16,21)22/h4-7H,8-11H2,1H3,(H2,16,21,22)

InChI Key

YHMQADLFLNFZGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32261548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.217

Distribution Coefficient, logD

-0.218

Water Solubility, LogSw

-1.87

Polar Surface Area

83.690

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

T002-0042 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Carbonic Anhydrase II Library (4939 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with T002-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T002-0042?
Check Price and Availability of T002-0042, 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 T002-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T002-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T002-0042
  • 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 T002-0042 available by request