G336-0446 Screening compound: 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butane-1,4-dione

G336-0446 Screening compound: 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butane-1,4-dione
G336-0446 Screening compound: 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G336-0446
1-[4-(pyrimidin-2-yl)piperazin-1-yl]-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butane-1,4-dione

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

G336-0446

Molecular Formula

C22H26N8O2S (C22 H26 N8 O2 S)

Compound Name

1-[4-(pyrimidin-2-yl)piperazin-1-yl]-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butane-1,4-dione

IUPAC name

1-[4-(pyrimidin-2-yl)piperazin-1-yl]-4-(4-{[13]thiazolo[54-b]pyridin-2-yl}piperazin-1-yl)butane-14-dione

SMILES

O=C(CCC(N(CC1)CCN1c1ncccn1)=O)N(CC1)CCN1c1nc2cccnc2s1

InChI

InChI=1S/C22H26N8O2S/c31-18(27-9-13-29(14-10-27)21-24-7-2-8-25-21)4-5-19(32)28-11-15-30(16-12-28)22-26-17-3-1-6-23-20(17)33-22/h1-3,6-8H,4-5,9-16H2

InChI Key

ZKZQRDHSYAIRHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27135844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.291

Distribution Coefficient, logD

1.291

Water Solubility, LogSw

-1.89

Polar Surface Area

76.576

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

G336-0446 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G336-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G336-0446?
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What is the minimum amount of G336-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G336-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G336-0446
  • 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 G336-0446 available by request