G336-0534 Screening compound: N-[(4-butoxyphenyl)methyl]-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butanamide

G336-0534 Screening compound: N-[(4-butoxyphenyl)methyl]-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butanamide
G336-0534 Screening compound: N-[(4-butoxyphenyl)methyl]-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G336-0534
N-[(4-butoxyphenyl)methyl]-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butanamide

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

G336-0534

Molecular Formula

C25H31N5O3S (C25 H31 N5 O3 S)

Compound Name

N-[(4-butoxyphenyl)methyl]-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butanamide

IUPAC name

N-[(4-butoxyphenyl)methyl]-4-oxo-4-(4-{[13]thiazolo[54-b]pyridin-2-yl}piperazin-1-yl)butanamide

SMILES

CCCCOc1ccc(CNC(CCC(N(CC2)CCN2c2nc3cccnc3s2)=O)=O)cc1

InChI

InChI=1S/C25H31N5O3S/c1-2-3-17-33-20-8-6-19(7-9-20)18-27-22(31)10-11-23(32)29-13-15-30(16-14-29)25-28-21-5-4-12-26-24(21)34-25/h4-9,12H,2-3,10-11,13-18H2,1H3,(H,27,31)

InChI Key

JLUBSDJDJAKNRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27135875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.330

Distribution Coefficient, logD

3.330

Water Solubility, LogSw

-3.41

Polar Surface Area

70.450

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

G336-0534 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G336-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G336-0534?
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What is the minimum amount of G336-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G336-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G336-0534
  • 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 G336-0534 available by request