8629-0042 Screening compound: 4-fluoro-N~1~-(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide

8629-0042 Screening compound: 4-fluoro-N~1~-(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
8629-0042 Screening compound: 4-fluoro-N~1~-(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8629-0042
4-fluoro-N~1~-(4-oxo-6,7,8,9-tetrahydro-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

8629-0042

Molecular Formula

C17H14FN3O2S (C17 H14 FN3 O2 S)

Compound Name

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

IUPAC name

4-fluoro-N-{13-oxo-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-trien-12-yl}benzamide

SMILES

O=C(c(cc1)ccc1F)NC1=CN=C2SC(CCCC3)=C3N2C1=O

InChI

InChI=1S/C17H14FN3O2S/c18-11-7-5-10(6-8-11)15(22)20-12-9-19-17-21(16(12)23)13-3-1-2-4-14(13)24-17/h5-9H,1-4H2,(H,20,22)

InChI Key

DTVLQHDDWZXUBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02720800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.38

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

2.024

Distribution Coefficient, logD

0.936

Water Solubility, LogSw

-2.60

Polar Surface Area

49.678

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8629-0042 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8629-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8629-0042?
Check Price and Availability of 8629-0042, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8629-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8629-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8629-0042
  • 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 8629-0042 available by request