C679-5970 Screening compound: 3-methoxy-N~1~-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide

C679-5970 Screening compound: 3-methoxy-N~1~-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide
C679-5970 Screening compound: 3-methoxy-N~1~-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-5970
3-methoxy-N~1~-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide

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

C679-5970

Molecular Formula

C25H23N3O4S (C25 H23 N3 O4 S)

Compound Name

3-methoxy-N~1~-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide

IUPAC name

3-methoxy-N-[3-({13-oxo-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-trien-11-yl}methoxy)phenyl]benzamide

SMILES

COc1cccc(C(Nc2cccc(OCC(N=C3SC(CCCC4)=C4N33)=CC3=O)c2)=O)c1

InChI

InChI=1S/C25H23N3O4S/c1-31-19-8-4-6-16(12-19)24(30)26-17-7-5-9-20(13-17)32-15-18-14-23(29)28-21-10-2-3-11-22(21)33-25(28)27-18/h4-9,12-14H,2-3,10-11,15H2,1H3,(H,26,30)

InChI Key

FPRLKDYJNNQXBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.803

Distribution Coefficient, logD

3.803

Water Solubility, LogSw

-4.11

Polar Surface Area

64.237

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C679-5970 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 C679-5970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-5970?
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What is the minimum amount of C679-5970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-5970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-5970
  • 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 C679-5970 available by request