K781-2461 Screening compound: ethyl 2-({4-[(2-methoxyethyl)carbamoyl]-2-nitrophenyl}sulfanyl)acetate

K781-2461 Screening compound: ethyl 2-({4-[(2-methoxyethyl)carbamoyl]-2-nitrophenyl}sulfanyl)acetate
K781-2461 Screening compound: ethyl 2-({4-[(2-methoxyethyl)carbamoyl]-2-nitrophenyl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-2461
ethyl 2-({4-[(2-methoxyethyl)carbamoyl]-2-nitrophenyl}sulfanyl)acetate

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

K781-2461

Molecular Formula

C14H18N2O6S (C14 H18 N2 O6 S)

Compound Name

ethyl 2-({4-[(2-methoxyethyl)carbamoyl]-2-nitrophenyl}sulfanyl)acetate

IUPAC name

ethyl 2-({4-[(2-methoxyethyl)carbamoyl]-2-nitrophenyl}sulfanyl)acetate

SMILES

CCOC(CSc(ccc(C(NCCOC)=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C14H18N2O6S/c1-3-22-13(17)9-23-12-5-4-10(8-11(12)16(19)20)14(18)15-6-7-21-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,18)

InChI Key

MLRNVVJXRHLNIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.810

Distribution Coefficient, logD

1.810

Water Solubility, LogSw

-2.50

Polar Surface Area

86.347

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with K781-2461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-2461?
Check Price and Availability of K781-2461, 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 K781-2461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-2461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-2461
  • 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 K781-2461 available by request