G595-0132 Screening compound: N~3~-(3-methylbenzyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

G595-0132 Screening compound: N~3~-(3-methylbenzyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
G595-0132 Screening compound: N~3~-(3-methylbenzyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G595-0132
N~3~-(3-methylbenzyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

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

G595-0132

Molecular Formula

C19H19N3O2S (C19 H19 N3 O2 S)

Compound Name

N~3~-(3-methylbenzyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

IUPAC name

N-[(3-methylphenyl)methyl]-13-oxo-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-triene-12-carboxamide

SMILES

Cc1cccc(CNC(C2=CN=C3SC(CCCC4)=C4N3C2=O)=O)c1

InChI

InChI=1S/C19H19N3O2S/c1-12-5-4-6-13(9-12)10-20-17(23)14-11-21-19-22(18(14)24)15-7-2-3-8-16(15)25-19/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,20,23)

InChI Key

WDZMGYRHRWIGJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15021760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.570

Distribution Coefficient, logD

2.526

Water Solubility, LogSw

-2.70

Polar Surface Area

50.037

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G595-0132 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with G595-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G595-0132?
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What is the minimum amount of G595-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G595-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G595-0132
  • 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 G595-0132 available by request