K781-2707 Screening compound: 4-chloro-N'-(4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide

K781-2707 Screening compound: 4-chloro-N'-(4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide
K781-2707 Screening compound: 4-chloro-N'-(4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-2707
4-chloro-N'-(4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide

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

K781-2707

Molecular Formula

C21H14ClFN4O6S (C21 H14 ClFN4 O6 S)

Compound Name

4-chloro-N'-(4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide

IUPAC name

4-chloro-N'-(4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide

SMILES

[O-][N+](c(cc(cc1)C(NNC(c(cc2)cc([N+]([O-])=O)c2Cl)=O)=O)c1SCc(cccc1)c1F)=O

InChI

InChI=1S/C21H14ClFN4O6S/c22-15-7-5-12(9-17(15)26(30)31)20(28)24-25-21(29)13-6-8-19(18(10-13)27(32)33)34-11-14-3-1-2-4-16(14)23/h1-10H,11H2,(H,24,28)(H,25,29)

InChI Key

KKPANQXZZDJRIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02937042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.88

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.735

Distribution Coefficient, logD

4.345

Water Solubility, LogSw

-5.07

Polar Surface Area

117.324

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with K781-2707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-2707?
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What is the minimum amount of K781-2707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-2707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-2707
  • 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 K781-2707 available by request