4181-4169 Screening compound: N-(4-{3-[(diethylcarbamothioyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzenesulfonyl)acetamide

4181-4169 Screening compound: N-(4-{3-[(diethylcarbamothioyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzenesulfonyl)acetamide
4181-4169 Screening compound: N-(4-{3-[(diethylcarbamothioyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzenesulfonyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4181-4169
N-(4-{3-[(diethylcarbamothioyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzenesulfonyl)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

4181-4169

Molecular Formula

C17H21N3O5S3 (C17 H21 N3 O5 S3)

Compound Name

N-(4-{3-[(diethylcarbamothioyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzenesulfonyl)acetamide

IUPAC name

N-(4-{3-[(diethylcarbamothioyl)sulfanyl]-25-dioxopyrrolidin-1-yl}benzenesulfonyl)acetamide

SMILES

CCN(CC)C(SC(CC(N1c(cc2)ccc2S(NC(C)=O)(=O)=O)=O)C1=O)=S

InChI

InChI=1S/C17H21N3O5S3/c1-4-19(5-2)17(26)27-14-10-15(22)20(16(14)23)12-6-8-13(9-7-12)28(24,25)18-11(3)21/h6-9,14H,4-5,10H2,1-3H3,(H,18,21)/t14-/m1/s1

InChI Key

OWYPAZZUZOELLF-CQSZACIVSA-N

MDL Number (MFCD)

MFCD02234889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.628

Distribution Coefficient, logD

-1.650

Water Solubility, LogSw

-2.28

Polar Surface Area

86.532

Acid Dissociation Constant (pKa)

5.12

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with 4181-4169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4181-4169?
Check Price and Availability of 4181-4169, 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 4181-4169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4181-4169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4181-4169
  • 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 4181-4169 available by request