K781-2715 Screening compound: 4-fluoro-N'-(3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzoyl)benzohydrazide

K781-2715 Screening compound: 4-fluoro-N'-(3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzoyl)benzohydrazide
K781-2715 Screening compound: 4-fluoro-N'-(3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzoyl)benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-2715
4-fluoro-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

K781-2715

Molecular Formula

C19H18FN3O5S (C19 H18 FN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc(cc1)C(NNC(c(cc2)ccc2F)=O)=O)c1SCC1OCCC1)=O

InChI

InChI=1S/C19H18FN3O5S/c20-14-6-3-12(4-7-14)18(24)21-22-19(25)13-5-8-17(16(10-13)23(26)27)29-11-15-2-1-9-28-15/h3-8,10,15H,1-2,9,11H2,(H,21,24)(H,22,25)/t15-/m1/s1

InChI Key

LTIDOBMEWLHQQX-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD02937049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.43

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

2.970

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.57

Polar Surface Area

92.898

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

K781-2715 in Drug Discovery

Included in Screening Libraries

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 K781-2715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-2715?
Check Price and Availability of K781-2715, 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 K781-2715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-2715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-2715
  • 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 K781-2715 available by request