G357-2590 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-[(2,2-dimethylpropanoyl)amino]benzoate

G357-2590 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-[(2,2-dimethylpropanoyl)amino]benzoate
G357-2590 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-[(2,2-dimethylpropanoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-2590
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-[(2,2-dimethylpropanoyl)amino]benzoate

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

G357-2590

Molecular Formula

C23H25N3O4S (C23 H25 N3 O4 S)

Compound Name

(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-[(2,2-dimethylpropanoyl)amino]benzoate

IUPAC name

{13-oxo-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-trien-11-yl}methyl 3-(22-dimethylpropanamido)benzoate

SMILES

CC(C)(C)C(Nc1cccc(C(OCC(N=C2SC(CCCC3)=C3N22)=CC2=O)=O)c1)=O

InChI

InChI=1S/C23H25N3O4S/c1-23(2,3)21(29)24-15-8-6-7-14(11-15)20(28)30-13-16-12-19(27)26-17-9-4-5-10-18(17)31-22(26)25-16/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,24,29)

InChI Key

JUSGFIKTPHVUCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15002536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.688

Distribution Coefficient, logD

3.688

Water Solubility, LogSw

-4.01

Polar Surface Area

70.595

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

G357-2590 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Therapeutical Diversity Annotated Library (7563 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 G357-2590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-2590?
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What is the minimum amount of G357-2590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-2590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-2590
  • 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 G357-2590 available by request