G595-0044 Screening compound: 4-oxo-N~3~-(3,4,5-triethoxybenzyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

G595-0044 Screening compound: 4-oxo-N~3~-(3,4,5-triethoxybenzyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
G595-0044 Screening compound: 4-oxo-N~3~-(3,4,5-triethoxybenzyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G595-0044
4-oxo-N~3~-(3,4,5-triethoxybenzyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

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

G595-0044

Molecular Formula

C24H29N3O5S (C24 H29 N3 O5 S)

Compound Name

4-oxo-N~3~-(3,4,5-triethoxybenzyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

IUPAC name

13-oxo-N-[(345-triethoxyphenyl)methyl]-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-triene-12-carboxamide

SMILES

CCOc1cc(CNC(C2=CN=C3SC(CCCC4)=C4N3C2=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C24H29N3O5S/c1-4-30-18-11-15(12-19(31-5-2)21(18)32-6-3)13-25-22(28)16-14-26-24-27(23(16)29)17-9-7-8-10-20(17)33-24/h11-12,14H,4-10,13H2,1-3H3,(H,25,28)

InChI Key

QBDLXKYGWLWORR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15021755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.622

Distribution Coefficient, logD

2.622

Water Solubility, LogSw

-2.95

Polar Surface Area

71.754

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

G595-0044 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G595-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G595-0044?
Check Price and Availability of G595-0044, 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 G595-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G595-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G595-0044
  • 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 G595-0044 available by request