Y030-5407 Screening compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,3-diphenylpropanamide

Y030-5407 Screening compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,3-diphenylpropanamide
Y030-5407 Screening compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,3-diphenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-5407
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,3-diphenylpropanamide

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

Y030-5407

Molecular Formula

C29H24N2OS (C29 H24 N2 OS)

Compound Name

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,3-diphenylpropanamide

IUPAC name

N-[4-(6-methyl-13-benzothiazol-2-yl)phenyl]-33-diphenylpropanamide

SMILES

Cc(cc1)cc2c1nc(-c(cc1)ccc1NC(CC(c1ccccc1)c1ccccc1)=O)s2

InChI

InChI=1S/C29H24N2OS/c1-20-12-17-26-27(18-20)33-29(31-26)23-13-15-24(16-14-23)30-28(32)19-25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-18,25H,19H2,1H3,(H,30,32)

InChI Key

LKCYRSFZBLLMAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02603883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.254

Distribution Coefficient, logD

7.254

Water Solubility, LogSw

-5.65

Polar Surface Area

32.294

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

Y030-5407 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y030-5407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-5407?
Check Price and Availability of Y030-5407, 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 Y030-5407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-5407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-5407
  • 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 Y030-5407 available by request