Z301-0139 Screening compound: 1-[1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-4-(pyridine-3-carbonyl)-1,4-diazepane

Z301-0139 Screening compound: 1-[1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-4-(pyridine-3-carbonyl)-1,4-diazepane
Z301-0139 Screening compound: 1-[1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-4-(pyridine-3-carbonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound Z301-0139
1-[1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-4-(pyridine-3-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

Z301-0139

Molecular Formula

C22H21FN6OS (C22 H21 FN6 OS)

Compound Name

1-[1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-4-(pyridine-3-carbonyl)-1,4-diazepane

IUPAC name

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

SMILES

Cc(c1c2nc(N(CCC3)CCN3C(c3cnccc3)=O)s1)nn2-c(cc1)ccc1F

InChI

InChI=1S/C22H21FN6OS/c1-15-19-20(29(26-15)18-7-5-17(23)6-8-18)25-22(31-19)28-11-3-10-27(12-13-28)21(30)16-4-2-9-24-14-16/h2,4-9,14H,3,10-13H2,1H3

InChI Key

LXTBZIXCHNKDFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27638254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.898

Distribution Coefficient, logD

2.898

Water Solubility, LogSw

-2.80

Polar Surface Area

54.596

Acid Dissociation Constant (pKa)

23.18

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

Z301-0139 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)

Serine Proteases Inhibitors Library (32732 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with Z301-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z301-0139?
Check Price and Availability of Z301-0139, 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 Z301-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z301-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z301-0139
  • 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 Z301-0139 available by request