Z301-0065 Screening compound: 1-[1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-4-(3-methylthiophene-2-carbonyl)-1,4-diazepane

Z301-0065 Screening compound: 1-[1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-4-(3-methylthiophene-2-carbonyl)-1,4-diazepane
Z301-0065 Screening compound: 1-[1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-4-(3-methylthiophene-2-carbonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound Z301-0065
1-[1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-4-(3-methylthiophene-2-carbonyl)-1,4-diazepane

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

Z301-0065

Molecular Formula

C23H25N5O2S2 (C23 H25 N5 O2 S2)

Compound Name

1-[1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-4-(3-methylthiophene-2-carbonyl)-1,4-diazepane

IUPAC name

1-[1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[34-d][13]thiazol-5-yl]-4-(3-methylthiophene-2-carbonyl)-14-diazepane

SMILES

Cc1c(C(N(CCC2)CCN2c2nc(n(-c(cc3)ccc3OC)nc3C)c3s2)=O)scc1

InChI

InChI=1S/C23H25N5O2S2/c1-15-9-14-31-19(15)22(29)26-10-4-11-27(13-12-26)23-24-21-20(32-23)16(2)25-28(21)17-5-7-18(30-3)8-6-17/h5-9,14H,4,10-13H2,1-3H3

InChI Key

NVDZKEXMEUZPIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27638231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.646

Distribution Coefficient, logD

4.646

Water Solubility, LogSw

-4.36

Polar Surface Area

53.641

Acid Dissociation Constant (pKa)

23.26

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

Z301-0065 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with Z301-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z301-0065?
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What is the minimum amount of Z301-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z301-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z301-0065
  • 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 Z301-0065 available by request