8629-0167 Screening compound: 3-methyl-N~1~-(4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide

8629-0167 Screening compound: 3-methyl-N~1~-(4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
8629-0167 Screening compound: 3-methyl-N~1~-(4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8629-0167
3-methyl-N~1~-(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

8629-0167

Molecular Formula

C18H13N3O2S (C18 H13 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(NC2=CN=C3Sc(cccc4)c4N3C2=O)=O)c1

InChI

InChI=1S/C18H13N3O2S/c1-11-5-4-6-12(9-11)16(22)20-13-10-19-18-21(17(13)23)14-7-2-3-8-15(14)24-18/h2-10H,1H3,(H,20,22)

InChI Key

CRQQFEBHOSZVTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09599280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.39

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

2.530

Distribution Coefficient, logD

2.460

Water Solubility, LogSw

-2.96

Polar Surface Area

49.076

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

-4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

8629-0167 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8629-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8629-0167?
Check Price and Availability of 8629-0167, 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 8629-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8629-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8629-0167
  • 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 8629-0167 available by request