2022-2131 Screening compound: 5-nitro-N-(2-oxothiolan-3-yl)furan-2-carboxamide

2022-2131 Screening compound: 5-nitro-N-(2-oxothiolan-3-yl)furan-2-carboxamide
2022-2131 Screening compound: 5-nitro-N-(2-oxothiolan-3-yl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2022-2131
5-nitro-N-(2-oxothiolan-3-yl)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

2022-2131

Molecular Formula

C9H8N2O5S (C9 H8 N2 O5 S)

Compound Name

5-nitro-N-(2-oxothiolan-3-yl)furan-2-carboxamide

IUPAC name

5-nitro-N-(2-oxothiolan-3-yl)furan-2-carboxamide

SMILES

[O-][N+](c1ccc(C(NC(CCS2)C2=O)=O)o1)=O

InChI

InChI=1S/C9H8N2O5S/c12-8(10-5-3-4-17-9(5)13)6-1-2-7(16-6)11(14)15/h1-2,5H,3-4H2,(H,10,12)/t5-/m1/s1

InChI Key

UMYUETHEOWUHMM-RXMQYKEDSA-N

MDL Number (MFCD)

MFCD00784221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.24

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.467

Distribution Coefficient, logD

0.406

Water Solubility, LogSw

-2.32

Polar Surface Area

80.866

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

-6.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 2022-2131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2022-2131?
Check Price and Availability of 2022-2131, 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 2022-2131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2022-2131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2022-2131
  • 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 2022-2131 available by request