Z301-0541 Screening compound: 1-{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl}-3-phenylbutan-1-one

Z301-0541 Screening compound: 1-{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl}-3-phenylbutan-1-one
Z301-0541 Screening compound: 1-{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl}-3-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Z301-0541
1-{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl}-3-phenylbutan-1-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

Z301-0541

Molecular Formula

C27H31N5OS (C27 H31 N5 OS)

Compound Name

1-{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl}-3-phenylbutan-1-one

IUPAC name

1-{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[34-d][13]thiazol-5-yl]-14-diazepan-1-yl}-3-phenylbutan-1-one

SMILES

CC(CC(N(CCC1)CCN1c1nc(n(-c2cc(C)ccc2)nc2C)c2s1)=O)c1ccccc1

InChI

InChI=1S/C27H31N5OS/c1-19-9-7-12-23(17-19)32-26-25(21(3)29-32)34-27(28-26)31-14-8-13-30(15-16-31)24(33)18-20(2)22-10-5-4-6-11-22/h4-7,9-12,17,20H,8,13-16,18H2,1-3H3/t20-/m0/s1

InChI Key

QHFGYTFCSKAESA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27638341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.897

Distribution Coefficient, logD

5.897

Water Solubility, LogSw

-5.44

Polar Surface Area

44.551

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

Z301-0541 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with Z301-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z301-0541?
Check Price and Availability of Z301-0541, 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 Z301-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z301-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z301-0541
  • 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 Z301-0541 available by request