8018-0142 Screening compound: methyl 3-(2-imino-4-oxo-1,3-thiazolan-3-yl)-2-thiophenecarboxylate

8018-0142 Screening compound: methyl 3-(2-imino-4-oxo-1,3-thiazolan-3-yl)-2-thiophenecarboxylate
8018-0142 Screening compound: methyl 3-(2-imino-4-oxo-1,3-thiazolan-3-yl)-2-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0142
methyl 3-(2-imino-4-oxo-1,3-thiazolan-3-yl)-2-thiophenecarboxylate

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

8018-0142

Molecular Formula

C9H8N2O3S2 (C9 H8 N2 O3 S2)

Compound Name

methyl 3-(2-imino-4-oxo-1,3-thiazolan-3-yl)-2-thiophenecarboxylate

IUPAC name

methyl 3-(2-imino-4-oxo-13-thiazolidin-3-yl)thiophene-2-carboxylate

SMILES

COC(c(scc1)c1N(C(CS1)=O)C1=N)=O

InChI

InChI=1S/C9H8N2O3S2/c1-14-8(13)7-5(2-3-15-7)11-6(12)4-16-9(11)10/h2-3,10H,4H2,1H3

InChI Key

OTOSCJRZSCRIQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07021882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.962

Distribution Coefficient, logD

0.962

Water Solubility, LogSw

-2.12

Polar Surface Area

55.809

Acid Dissociation Constant (pKa)

21.09

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with 8018-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0142?
Check Price and Availability of 8018-0142, 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 8018-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0142
  • 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 8018-0142 available by request