4130-5634 Screening compound: 2,6-dichloro-N-(2-oxothiolan-3-yl)benzamide

4130-5634 Screening compound: 2,6-dichloro-N-(2-oxothiolan-3-yl)benzamide
4130-5634 Screening compound: 2,6-dichloro-N-(2-oxothiolan-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-5634
2,6-dichloro-N-(2-oxothiolan-3-yl)benzamide

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

4130-5634

Molecular Formula

C11H9Cl2NO2S (C11 H9 Cl2 NO2 S)

Compound Name

2,6-dichloro-N-(2-oxothiolan-3-yl)benzamide

IUPAC name

26-dichloro-N-(2-oxothiolan-3-yl)benzamide

SMILES

O=C(c(c(Cl)ccc1)c1Cl)NC(CCS1)C1=O

InChI

InChI=1S/C11H9Cl2NO2S/c12-6-2-1-3-7(13)9(6)10(15)14-8-4-5-17-11(8)16/h1-3,8H,4-5H2,(H,14,15)/t8-/m0/s1

InChI Key

MCXPKQDEZHJHDJ-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD02213737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.17

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.038

Distribution Coefficient, logD

1.438

Water Solubility, LogSw

-2.85

Polar Surface Area

38.206

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

-6.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

4130-5634 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 4130-5634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-5634?
Check Price and Availability of 4130-5634, 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 4130-5634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-5634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-5634
  • 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 4130-5634 available by request