8629-0065 Screening compound: 4-chloro-N~1~-(8-fluoro-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide

8629-0065 Screening compound: 4-chloro-N~1~-(8-fluoro-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
8629-0065 Screening compound: 4-chloro-N~1~-(8-fluoro-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8629-0065
4-chloro-N~1~-(8-fluoro-4-oxo-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

8629-0065

Molecular Formula

C17H9ClFN3O2S (C17 H9 ClFN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1Cl)NC1=CN=C2Sc(cc(cc3)F)c3N2C1=O

InChI

InChI=1S/C17H9ClFN3O2S/c18-10-3-1-9(2-4-10)15(23)21-12-8-20-17-22(16(12)24)13-6-5-11(19)7-14(13)25-17/h1-8H,(H,21,23)

InChI Key

XTGOKGQOORLQIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.975

Distribution Coefficient, logD

2.816

Water Solubility, LogSw

-3.72

Polar Surface Area

49.076

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8629-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8629-0065?
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What is the minimum amount of 8629-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8629-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8629-0065
  • 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 8629-0065 available by request