K400-09975 Screening compound: N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

K400-09975 Screening compound: N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
K400-09975 Screening compound: N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K400-09975
N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

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

K400-09975

Molecular Formula

C23H20N6O6S (C23 H20 N6 O6 S)

Compound Name

N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

IUPAC name

N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(4-nitrophenyl)-4H-124-triazol-3-yl]methyl}furan-2-carboxamide

SMILES

COc(cc1)ccc1NC(CSc1nnc(CNC(c2ccco2)=O)n1-c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C23H20N6O6S/c1-34-18-10-4-15(5-11-18)25-21(30)14-36-23-27-26-20(13-24-22(31)19-3-2-12-35-19)28(23)16-6-8-17(9-7-16)29(32)33/h2-12H,13-14H2,1H3,(H,24,31)(H,25,30)

InChI Key

KGVGJFUPCVOHFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.658

Distribution Coefficient, logD

2.658

Water Solubility, LogSw

-3.17

Polar Surface Area

123.027

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with K400-09975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K400-09975?
Check Price and Availability of K400-09975, 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 K400-09975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K400-09975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K400-09975
  • 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 K400-09975 available by request