G336-0493 Screening compound: N-[3-(azepan-1-yl)propyl]-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butanamide

G336-0493 Screening compound: N-[3-(azepan-1-yl)propyl]-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butanamide
G336-0493 Screening compound: N-[3-(azepan-1-yl)propyl]-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 G336-0493
N-[3-(azepan-1-yl)propyl]-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

G336-0493

Molecular Formula

C23H34N6O2S (C23 H34 N6 O2 S)

Compound Name

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

IUPAC name

N-[3-(azepan-1-yl)propyl]-4-oxo-4-(4-{[13]thiazolo[54-b]pyridin-2-yl}piperazin-1-yl)butanamide

SMILES

O=C(CCC(N(CC1)CCN1c1nc2cccnc2s1)=O)NCCCN1CCCCCC1

InChI

InChI=1S/C23H34N6O2S/c30-20(24-11-6-14-27-12-3-1-2-4-13-27)8-9-21(31)28-15-17-29(18-16-28)23-26-19-7-5-10-25-22(19)32-23/h5,7,10H,1-4,6,8-9,11-18H2,(H,24,30)

InChI Key

KPVWPOTWHQDGMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27135859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.538

Distribution Coefficient, logD

-1.091

Water Solubility, LogSw

-2.30

Polar Surface Area

67.187

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

10.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.20

G336-0493 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 G336-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G336-0493?
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What is the minimum amount of G336-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G336-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G336-0493
  • 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 G336-0493 available by request