K781-2547 Screening compound: 1-[4-(2-chlorobenzenesulfonyl)-3-nitrobenzoyl]-2,3-dihydro-1H-indole

K781-2547 Screening compound: 1-[4-(2-chlorobenzenesulfonyl)-3-nitrobenzoyl]-2,3-dihydro-1H-indole
K781-2547 Screening compound: 1-[4-(2-chlorobenzenesulfonyl)-3-nitrobenzoyl]-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-2547
1-[4-(2-chlorobenzenesulfonyl)-3-nitrobenzoyl]-2,3-dihydro-1H-indole

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

K781-2547

Molecular Formula

C21H15ClN2O5S (C21 H15 ClN2 O5 S)

Compound Name

1-[4-(2-chlorobenzenesulfonyl)-3-nitrobenzoyl]-2,3-dihydro-1H-indole

IUPAC name

1-[4-(2-chlorobenzenesulfonyl)-3-nitrobenzoyl]-23-dihydro-1H-indole

SMILES

[O-][N+](c(cc(cc1)C(N(CC2)c3c2cccc3)=O)c1S(c(cccc1)c1Cl)(=O)=O)=O

InChI

InChI=1S/C21H15ClN2O5S/c22-16-6-2-4-8-19(16)30(28,29)20-10-9-15(13-18(20)24(26)27)21(25)23-12-11-14-5-1-3-7-17(14)23/h1-10,13H,11-12H2

InChI Key

VNYODZURMILCPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.88

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.969

Distribution Coefficient, logD

3.969

Water Solubility, LogSw

-4.40

Polar Surface Area

78.499

Acid Dissociation Constant (pKa)

25.87

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

K781-2547 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K781-2547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-2547?
Check Price and Availability of K781-2547, 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 K781-2547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-2547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-2547
  • 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 K781-2547 available by request