Z301-0016 Screening compound: 4-{4-[1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepane-1-carbonyl}-N,N-dimethylaniline

Z301-0016 Screening compound: 4-{4-[1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepane-1-carbonyl}-N,N-dimethylaniline
Z301-0016 Screening compound: 4-{4-[1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepane-1-carbonyl}-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound Z301-0016
4-{4-[1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepane-1-carbonyl}-N,N-dimethylaniline

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

Z301-0016

Molecular Formula

C26H30N6O2S (C26 H30 N6 O2 S)

Compound Name

4-{4-[1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepane-1-carbonyl}-N,N-dimethylaniline

IUPAC name

4-{4-[1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[34-d][13]thiazol-5-yl]-14-diazepane-1-carbonyl}-NN-dimethylaniline

SMILES

Cc(c1c2nc(N(CCC3)CCN3C(c(cc3)ccc3N(C)C)=O)s1)nn2-c(cc1)ccc1OC

InChI

InChI=1S/C26H30N6O2S/c1-18-23-24(32(28-18)21-10-12-22(34-4)13-11-21)27-26(35-23)31-15-5-14-30(16-17-31)25(33)19-6-8-20(9-7-19)29(2)3/h6-13H,5,14-17H2,1-4H3

InChI Key

IHELSEVNXKZZDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27638213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.233

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.15

Polar Surface Area

55.427

Acid Dissociation Constant (pKa)

23.18

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

Z301-0016 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with Z301-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z301-0016?
Check Price and Availability of Z301-0016, 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 Z301-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z301-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z301-0016
  • 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 Z301-0016 available by request