K784-1057 Screening compound: methyl 3-nitro-4-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)benzoate

K784-1057 Screening compound: methyl 3-nitro-4-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)benzoate
K784-1057 Screening compound: methyl 3-nitro-4-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-1057
methyl 3-nitro-4-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)benzoate

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

K784-1057

Molecular Formula

C18H18N2O5S (C18 H18 N2 O5 S)

Compound Name

methyl 3-nitro-4-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)benzoate

IUPAC name

methyl 3-nitro-4-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)benzoate

SMILES

COC(c(cc1)cc([N+]([O-])=O)c1SCC(NCCc1ccccc1)=O)=O

InChI

InChI=1S/C18H18N2O5S/c1-25-18(22)14-7-8-16(15(11-14)20(23)24)26-12-17(21)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,21)

InChI Key

AXVXEJUSTXGHNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03019555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.036

Distribution Coefficient, logD

3.036

Water Solubility, LogSw

-3.61

Polar Surface Area

78.534

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with K784-1057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-1057?
Check Price and Availability of K784-1057, 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 K784-1057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-1057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-1057
  • 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 K784-1057 available by request