G357-2714 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]benzoate

G357-2714 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]benzoate
G357-2714 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-2714
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-[(3-chlorobenzoyl)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

G357-2714

Molecular Formula

C25H20ClN3O4S (C25 H20 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccc(Cl)c1)Nc(cccc1)c1C(OCC(N=C1SC(CCCC2)=C2N11)=CC1=O)=O

InChI

InChI=1S/C25H20ClN3O4S/c26-16-7-5-6-15(12-16)23(31)28-19-9-2-1-8-18(19)24(32)33-14-17-13-22(30)29-20-10-3-4-11-21(20)34-25(29)27-17/h1-2,5-9,12-13H,3-4,10-11,14H2,(H,28,31)

InChI Key

ZRFRTBQQGCRTAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15002559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.97

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

4.445

Distribution Coefficient, logD

3.634

Water Solubility, LogSw

-4.65

Polar Surface Area

69.626

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G357-2714 in Drug Discovery

Included in Screening Libraries

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 G357-2714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-2714?
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What is the minimum amount of G357-2714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-2714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-2714
  • 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 G357-2714 available by request