2261-0069 Screening compound: N-(4-methyl-3-nitrophenyl)-2-phenyl-2-(phenylsulfanyl)acetamide

2261-0069 Screening compound: N-(4-methyl-3-nitrophenyl)-2-phenyl-2-(phenylsulfanyl)acetamide
2261-0069 Screening compound: N-(4-methyl-3-nitrophenyl)-2-phenyl-2-(phenylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2261-0069
N-(4-methyl-3-nitrophenyl)-2-phenyl-2-(phenylsulfanyl)acetamide

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

2261-0069

Molecular Formula

C21H18N2O3S (C21 H18 N2 O3 S)

Compound Name

N-(4-methyl-3-nitrophenyl)-2-phenyl-2-(phenylsulfanyl)acetamide

IUPAC name

N-(4-methyl-3-nitrophenyl)-2-phenyl-2-(phenylsulfanyl)acetamide

SMILES

Cc(ccc(NC(C(c1ccccc1)Sc1ccccc1)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C21H18N2O3S/c1-15-12-13-17(14-19(15)23(25)26)22-21(24)20(16-8-4-2-5-9-16)27-18-10-6-3-7-11-18/h2-14,20H,1H3,(H,22,24)/t20-/m1/s1

InChI Key

YYQFIHGLRWBNGO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD01345467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.592

Distribution Coefficient, logD

5.582

Water Solubility, LogSw

-5.46

Polar Surface Area

56.139

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 2261-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2261-0069?
Check Price and Availability of 2261-0069, 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 2261-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2261-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2261-0069
  • 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 2261-0069 available by request