Z301-0544 Screening compound: N,N-dimethyl-3-{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepane-1-carbonyl}aniline

Z301-0544 Screening compound: N,N-dimethyl-3-{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepane-1-carbonyl}aniline
Z301-0544 Screening compound: N,N-dimethyl-3-{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepane-1-carbonyl}aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound Z301-0544
N,N-dimethyl-3-{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepane-1-carbonyl}aniline

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

Z301-0544

Molecular Formula

C26H30N6OS (C26 H30 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2nc(N(CCC3)CCN3C(c3cc(N(C)C)ccc3)=O)s1)nn2-c1cc(C)ccc1

InChI

InChI=1S/C26H30N6OS/c1-18-8-5-11-22(16-18)32-24-23(19(2)28-32)34-26(27-24)31-13-7-12-30(14-15-31)25(33)20-9-6-10-21(17-20)29(3)4/h5-6,8-11,16-17H,7,12-15H2,1-4H3

InChI Key

PPEWUGQVIMQRPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27638344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.888

Distribution Coefficient, logD

4.888

Water Solubility, LogSw

-4.70

Polar Surface Area

47.883

Acid Dissociation Constant (pKa)

23.18

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

Z301-0544 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with Z301-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z301-0544?
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What is the minimum amount of Z301-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z301-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z301-0544
  • 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 Z301-0544 available by request