8629-0039 Screening compound: 4-methyl-N~1~-(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide

8629-0039 Screening compound: 4-methyl-N~1~-(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
8629-0039 Screening compound: 4-methyl-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 8629-0039
4-methyl-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

8629-0039

Molecular Formula

C18H17N3O2S (C18 H17 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(NC1=CN=C2SC(CCCC3)=C3N2C1=O)=O

InChI

InChI=1S/C18H17N3O2S/c1-11-6-8-12(9-7-11)16(22)20-13-10-19-18-21(17(13)23)14-4-2-3-5-15(14)24-18/h6-10H,2-5H2,1H3,(H,20,22)

InChI Key

SINVAGNQBHYUFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09599193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.42

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

2.418

Distribution Coefficient, logD

1.998

Water Solubility, LogSw

-2.83

Polar Surface Area

49.678

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

8629-0039 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8629-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8629-0039?
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What is the minimum amount of 8629-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8629-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8629-0039
  • 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 8629-0039 available by request