E207-1417 Screening compound: 3-{[4-(2-furylcarbonyl)piperazino]carbonyl}-1-methyl-1,4-dihydro-5H-5lambda~6~-thiochromeno[4,3-c]pyrazole-5,5-dione

E207-1417 Screening compound: 3-{[4-(2-furylcarbonyl)piperazino]carbonyl}-1-methyl-1,4-dihydro-5H-5lambda~6~-thiochromeno[4,3-c]pyrazole-5,5-dione
E207-1417 Screening compound: 3-{[4-(2-furylcarbonyl)piperazino]carbonyl}-1-methyl-1,4-dihydro-5H-5lambda~6~-thiochromeno[4,3-c]pyrazole-5,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E207-1417
3-{[4-(2-furylcarbonyl)piperazino]carbonyl}-1-methyl-1,4-dihydro-5H-5lambda~6~-thiochromeno[4,3-c]pyrazole-5,5-dione

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

E207-1417

Molecular Formula

C21H20N4O5S (C21 H20 N4 O5 S)

Compound Name

3-{[4-(2-furylcarbonyl)piperazino]carbonyl}-1-methyl-1,4-dihydro-5H-5lambda~6~-thiochromeno[4,3-c]pyrazole-5,5-dione

IUPAC name

3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-methyl-1H4H-5lambda6-thiochromeno[43-c]pyrazole-55-dione

SMILES

Cn1nc(C(N(CC2)CCN2C(c2ccco2)=O)=O)c(C2)c1-c(cccc1)c1S2(=O)=O

InChI

InChI=1S/C21H20N4O5S/c1-23-19-14-5-2-3-7-17(14)31(28,29)13-15(19)18(22-23)21(27)25-10-8-24(9-11-25)20(26)16-6-4-12-30-16/h2-7,12H,8-11,13H2,1H3

InChI Key

HVNBUWHEGJXMCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14846375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.666

Distribution Coefficient, logD

0.666

Water Solubility, LogSw

-2.17

Polar Surface Area

84.770

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E207-1417 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E207-1417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E207-1417?
Check Price and Availability of E207-1417, 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 E207-1417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E207-1417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E207-1417
  • 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 E207-1417 available by request