K893-0786 Screening compound: 2-({5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-2-nitrophenyl}amino)ethan-1-ol

K893-0786 Screening compound: 2-({5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-2-nitrophenyl}amino)ethan-1-ol
K893-0786 Screening compound: 2-({5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-2-nitrophenyl}amino)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound K893-0786
2-({5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-2-nitrophenyl}amino)ethan-1-ol

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

K893-0786

Molecular Formula

C18H20N6O5S2 (C18 H20 N6 O5 S2)

Compound Name

2-({5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-2-nitrophenyl}amino)ethan-1-ol

IUPAC name

2-({5-[4-(213-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-2-nitrophenyl}amino)ethan-1-ol

SMILES

[O-][N+](c(ccc(N(CC1)CCN1S(c1cccc2nsnc12)(=O)=O)c1)c1NCCO)=O

InChI

InChI=1S/C18H20N6O5S2/c25-11-6-19-15-12-13(4-5-16(15)24(26)27)22-7-9-23(10-8-22)31(28,29)17-3-1-2-14-18(17)21-30-20-14/h1-5,12,19,25H,6-11H2

InChI Key

YXCOFQDXARCLSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.144

Distribution Coefficient, logD

2.144

Water Solubility, LogSw

-2.63

Polar Surface Area

115.548

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K893-0786 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K893-0786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K893-0786?
Check Price and Availability of K893-0786, 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 K893-0786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K893-0786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K893-0786
  • 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 K893-0786 available by request