G595-0146 Screening compound: N~3~-(2-methoxybenzyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

G595-0146 Screening compound: N~3~-(2-methoxybenzyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
G595-0146 Screening compound: N~3~-(2-methoxybenzyl)-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 G595-0146
N~3~-(2-methoxybenzyl)-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

G595-0146

Molecular Formula

C19H19N3O3S (C19 H19 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CNC(C2=CN=C3SC(CCCC4)=C4N3C2=O)=O)cccc1

InChI

InChI=1S/C19H19N3O3S/c1-25-15-8-4-2-6-12(15)10-20-17(23)13-11-21-19-22(18(13)24)14-7-3-5-9-16(14)26-19/h2,4,6,8,11H,3,5,7,9-10H2,1H3,(H,20,23)

InChI Key

AQQMOMFBVNLQQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09159056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.103

Distribution Coefficient, logD

2.059

Water Solubility, LogSw

-2.58

Polar Surface Area

57.667

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with G595-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G595-0146?
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What is the minimum amount of G595-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G595-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G595-0146
  • 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 G595-0146 available by request