G357-2516 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-[(3-methylbenzoyl)amino]benzoate

G357-2516 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-[(3-methylbenzoyl)amino]benzoate
G357-2516 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-[(3-methylbenzoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-2516
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-[(3-methylbenzoyl)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

G357-2516

Molecular Formula

C26H23N3O4S (C26 H23 N3 O4 S)

Compound Name

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

SMILES

Cc1cccc(C(Nc(cc2)ccc2C(OCC(N=C2SC(CCCC3)=C3N22)=CC2=O)=O)=O)c1

InChI

InChI=1S/C26H23N3O4S/c1-16-5-4-6-18(13-16)24(31)27-19-11-9-17(10-12-19)25(32)33-15-20-14-23(30)29-21-7-2-3-8-22(21)34-26(29)28-20/h4-6,9-14H,2-3,7-8,15H2,1H3,(H,27,31)

InChI Key

NYJRASXSAKLSAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15002523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.55

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

4.288

Distribution Coefficient, logD

4.277

Water Solubility, LogSw

-4.39

Polar Surface Area

70.324

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

G357-2516 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G357-2516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-2516?
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What is the minimum amount of G357-2516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-2516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-2516
  • 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 G357-2516 available by request