G357-2551 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-[(3-fluorobenzoyl)amino]benzoate

G357-2551 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-[(3-fluorobenzoyl)amino]benzoate
G357-2551 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-[(3-fluorobenzoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-2551
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-[(3-fluorobenzoyl)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

G357-2551

Molecular Formula

C25H20FN3O4S (C25 H20 FN3 O4 S)

Compound Name

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

IUPAC name

{13-oxo-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-trien-11-yl}methyl 4-(3-fluorobenzamido)benzoate

SMILES

O=C(c1cc(F)ccc1)Nc(cc1)ccc1C(OCC(N=C1SC(CCCC2)=C2N11)=CC1=O)=O

InChI

InChI=1S/C25H20FN3O4S/c26-17-5-3-4-16(12-17)23(31)27-18-10-8-15(9-11-18)24(32)33-14-19-13-22(30)29-20-6-1-2-7-21(20)34-25(29)28-19/h3-5,8-13H,1-2,6-7,14H2,(H,27,31)

InChI Key

SLEVCCASMBGVOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15002527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.52

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

4.039

Distribution Coefficient, logD

4.014

Water Solubility, LogSw

-4.36

Polar Surface Area

70.324

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G357-2551 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G357-2551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-2551?
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What is the minimum amount of G357-2551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-2551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-2551
  • 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 G357-2551 available by request