8010-4621 Screening compound: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetamide

8010-4621 Screening compound: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetamide
8010-4621 Screening compound: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4621
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}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

8010-4621

Molecular Formula

C17H12F6N2O4S (C17 H12 F6 N2 O4 S)

Compound Name

N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetamide

IUPAC name

N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetamide

SMILES

COc(ccc(C(F)(F)F)c1)c1NC(CSc(ccc(C(F)(F)F)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C17H12F6N2O4S/c1-29-13-4-2-9(16(18,19)20)6-11(13)24-15(26)8-30-14-5-3-10(17(21,22)23)7-12(14)25(27)28/h2-7H,8H2,1H3,(H,24,26)

InChI Key

OMJGNHAOUQWRSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02019218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.972

Distribution Coefficient, logD

4.955

Water Solubility, LogSw

-4.77

Polar Surface Area

63.129

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 8010-4621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4621?
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What is the minimum amount of 8010-4621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4621
  • 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 8010-4621 available by request