5750-3506 Screening compound: 11-[4-(propan-2-yl)phenyl]-12H-10-thia-5-azatetraphen-12-one

5750-3506 Screening compound: 11-[4-(propan-2-yl)phenyl]-12H-10-thia-5-azatetraphen-12-one
5750-3506 Screening compound: 11-[4-(propan-2-yl)phenyl]-12H-10-thia-5-azatetraphen-12-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-3506
11-[4-(propan-2-yl)phenyl]-12H-10-thia-5-azatetraphen-12-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

5750-3506

Molecular Formula

C25H19NOS (C25 H19 NOS)

Compound Name

11-[4-(propan-2-yl)phenyl]-12H-10-thia-5-azatetraphen-12-one

IUPAC name

11-[4-(propan-2-yl)phenyl]-12H-10-thia-5-azatetraphen-12-one

SMILES

CC(C)c(cc1)ccc1C1=C2Sc(cccc3)c3N=C2c(cccc2)c2C1=O

InChI

InChI=1S/C25H19NOS/c1-15(2)16-11-13-17(14-12-16)22-24(27)19-8-4-3-7-18(19)23-25(22)28-21-10-6-5-9-20(21)26-23/h3-15H,1-2H3

InChI Key

JWPOIYBLKQMSMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03006999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.212

Distribution Coefficient, logD

5.027

Water Solubility, LogSw

-5.65

Polar Surface Area

20.285

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

5750-3506 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 5750-3506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-3506?
Check Price and Availability of 5750-3506, 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 5750-3506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-3506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-3506
  • 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 5750-3506 available by request