K783-4921 Screening compound: ethyl 2-{[2-nitro-4-(pyrrolidine-1-sulfonyl)phenyl]sulfanyl}acetate

K783-4921 Screening compound: ethyl 2-{[2-nitro-4-(pyrrolidine-1-sulfonyl)phenyl]sulfanyl}acetate
K783-4921 Screening compound: ethyl 2-{[2-nitro-4-(pyrrolidine-1-sulfonyl)phenyl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-4921
ethyl 2-{[2-nitro-4-(pyrrolidine-1-sulfonyl)phenyl]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

K783-4921

Molecular Formula

C14H18N2O6S2 (C14 H18 N2 O6 S2)

Compound Name

ethyl 2-{[2-nitro-4-(pyrrolidine-1-sulfonyl)phenyl]sulfanyl}acetate

IUPAC name

ethyl 2-{[2-nitro-4-(pyrrolidine-1-sulfonyl)phenyl]sulfanyl}acetate

SMILES

CCOC(CSc(ccc(S(N1CCCC1)(=O)=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C14H18N2O6S2/c1-2-22-14(17)10-23-13-6-5-11(9-12(13)16(18)19)24(20,21)15-7-3-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3

InChI Key

BQSCQVJZLOOPSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.809

Distribution Coefficient, logD

2.809

Water Solubility, LogSw

-3.45

Polar Surface Area

85.555

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

-4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K783-4921 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K783-4921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-4921?
Check Price and Availability of K783-4921, 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 K783-4921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-4921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-4921
  • 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 K783-4921 available by request