8015-5239 Screening compound: 2-imino-5-{(Z)-1-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methylidene}-3-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1,3-thiazolan-4-one

8015-5239 Screening compound: 2-imino-5-{(Z)-1-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methylidene}-3-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1,3-thiazolan-4-one
8015-5239 Screening compound: 2-imino-5-{(Z)-1-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methylidene}-3-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1,3-thiazolan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5239
2-imino-5-{(Z)-1-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methylidene}-3-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1,3-thiazolan-4-one

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

8015-5239

Molecular Formula

C23H15N7O2S2 (C23 H15 N7 O2 S2)

Compound Name

2-imino-5-{(Z)-1-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methylidene}-3-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1,3-thiazolan-4-one

IUPAC name

(5Z)-2-imino-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-3-[4-(1H-pyrrol-1-yl)-125-oxadiazol-3-yl]-13-thiazolidin-4-one

SMILES

N=C(N(c1nonc1-n1cccc1)C1=O)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1

InChI

InChI=1S/C23H15N7O2S2/c24-23-30(21-20(26-32-27-21)28-10-4-5-11-28)22(31)18(34-23)13-15-14-29(16-7-2-1-3-8-16)25-19(15)17-9-6-12-33-17/h1-14,24H

InChI Key

GPCKQUIXOYRRRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.236

Distribution Coefficient, logD

5.236

Water Solubility, LogSw

-5.35

Polar Surface Area

88.490

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8015-5239 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-5239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5239?
Check Price and Availability of 8015-5239, 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 8015-5239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5239
  • 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 8015-5239 available by request