K781-3489 Screening compound: 2-bromo-N'-(3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzoyl)benzohydrazide

K781-3489 Screening compound: 2-bromo-N'-(3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzoyl)benzohydrazide
K781-3489 Screening compound: 2-bromo-N'-(3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzoyl)benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-3489
2-bromo-N'-(3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzoyl)benzohydrazide

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

K781-3489

Molecular Formula

C19H18BrN3O5S (C19 H18 BrN3 O5 S)

Compound Name

2-bromo-N'-(3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzoyl)benzohydrazide

IUPAC name

2-bromo-N'-(3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzoyl)benzohydrazide

SMILES

[O-][N+](c(cc(cc1)C(NNC(c(cccc2)c2Br)=O)=O)c1SCC1OCCC1)=O

InChI

InChI=1S/C19H18BrN3O5S/c20-15-6-2-1-5-14(15)19(25)22-21-18(24)12-7-8-17(16(10-12)23(26)27)29-11-13-4-3-9-28-13/h1-2,5-8,10,13H,3-4,9,11H2,(H,21,24)(H,22,25)/t13-/m1/s1

InChI Key

QPMJRHKZEATWSY-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD02937232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.336

Distribution Coefficient, logD

3.110

Water Solubility, LogSw

-4.00

Polar Surface Area

92.898

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

K781-3489 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 K781-3489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-3489?
Check Price and Availability of K781-3489, 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 K781-3489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-3489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-3489
  • 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 K781-3489 available by request