K061-1077 Screening compound: 3-[4-(3,5-dinitrophenoxy)phenyl]-N-[2-(methylsulfanyl)phenyl]propanamide

K061-1077 Screening compound: 3-[4-(3,5-dinitrophenoxy)phenyl]-N-[2-(methylsulfanyl)phenyl]propanamide
K061-1077 Screening compound: 3-[4-(3,5-dinitrophenoxy)phenyl]-N-[2-(methylsulfanyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-1077
3-[4-(3,5-dinitrophenoxy)phenyl]-N-[2-(methylsulfanyl)phenyl]propanamide

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

K061-1077

Molecular Formula

C22H19N3O6S (C22 H19 N3 O6 S)

Compound Name

3-[4-(3,5-dinitrophenoxy)phenyl]-N-[2-(methylsulfanyl)phenyl]propanamide

IUPAC name

3-[4-(35-dinitrophenoxy)phenyl]-N-[2-(methylsulfanyl)phenyl]propanamide

SMILES

CSc(cccc1)c1NC(CCc(cc1)ccc1Oc1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C22H19N3O6S/c1-32-21-5-3-2-4-20(21)23-22(26)11-8-15-6-9-18(10-7-15)31-19-13-16(24(27)28)12-17(14-19)25(29)30/h2-7,9-10,12-14H,8,11H2,1H3,(H,23,26)

InChI Key

ZLCBPVVSAHEYQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01002457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.964

Distribution Coefficient, logD

4.964

Water Solubility, LogSw

-4.61

Polar Surface Area

95.929

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with K061-1077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-1077?
Check Price and Availability of K061-1077, 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 K061-1077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-1077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-1077
  • 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 K061-1077 available by request