8629-0061 Screening compound: 4-fluoro-N~1~-(4-oxo-8-propoxy-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide

8629-0061 Screening compound: 4-fluoro-N~1~-(4-oxo-8-propoxy-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
8629-0061 Screening compound: 4-fluoro-N~1~-(4-oxo-8-propoxy-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8629-0061
4-fluoro-N~1~-(4-oxo-8-propoxy-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)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

8629-0061

Molecular Formula

C20H16FN3O3S (C20 H16 FN3 O3 S)

Compound Name

4-fluoro-N~1~-(4-oxo-8-propoxy-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide

IUPAC name

4-fluoro-N-{13-oxo-5-propoxy-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)35911-pentaen-12-yl}benzamide

SMILES

CCCOc(cc1)cc(SC2=NC=C3NC(c(cc4)ccc4F)=O)c1N2C3=O

InChI

InChI=1S/C20H16FN3O3S/c1-2-9-27-14-7-8-16-17(10-14)28-20-22-11-15(19(26)24(16)20)23-18(25)12-3-5-13(21)6-4-12/h3-8,10-11H,2,9H2,1H3,(H,23,25)

InChI Key

CNAPLMXTJLGSCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09599209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.351

Distribution Coefficient, logD

3.193

Water Solubility, LogSw

-3.68

Polar Surface Area

56.494

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 8629-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8629-0061?
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What is the minimum amount of 8629-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8629-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8629-0061
  • 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 8629-0061 available by request