Z298-0585 Screening compound: 3-methyl-N-{1-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]piperidin-4-yl}butanamide

Z298-0585 Screening compound: 3-methyl-N-{1-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]piperidin-4-yl}butanamide
Z298-0585 Screening compound: 3-methyl-N-{1-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]piperidin-4-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Z298-0585
3-methyl-N-{1-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]piperidin-4-yl}butanamide

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

Z298-0585

Molecular Formula

C22H29N5OS (C22 H29 N5 OS)

Compound Name

3-methyl-N-{1-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]piperidin-4-yl}butanamide

IUPAC name

3-methyl-N-{1-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[34-d][13]thiazol-5-yl]piperidin-4-yl}butanamide

SMILES

CC(C)CC(NC(CC1)CCN1c1nc(n(-c2cc(C)ccc2)nc2C)c2s1)=O

InChI

InChI=1S/C22H29N5OS/c1-14(2)12-19(28)23-17-8-10-26(11-9-17)22-24-21-20(29-22)16(4)25-27(21)18-7-5-6-15(3)13-18/h5-7,13-14,17H,8-12H2,1-4H3,(H,23,28)

InChI Key

JAKPSFRLWUSIKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27638195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.743

Distribution Coefficient, logD

4.743

Water Solubility, LogSw

-4.50

Polar Surface Area

52.296

Acid Dissociation Constant (pKa)

15.95

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Z298-0585 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Z298-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z298-0585?
Check Price and Availability of Z298-0585, 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 Z298-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z298-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z298-0585
  • 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 Z298-0585 available by request