G595-0381 Screening compound: 4-oxo-N~3~-(3,4,5-triethoxybenzyl)-7,8-dihydro-4H,6H-cyclopenta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

G595-0381 Screening compound: 4-oxo-N~3~-(3,4,5-triethoxybenzyl)-7,8-dihydro-4H,6H-cyclopenta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
G595-0381 Screening compound: 4-oxo-N~3~-(3,4,5-triethoxybenzyl)-7,8-dihydro-4H,6H-cyclopenta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G595-0381
4-oxo-N~3~-(3,4,5-triethoxybenzyl)-7,8-dihydro-4H,6H-cyclopenta[4,5][1,3]thiazolo[3,2-a]pyrimidine-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

G595-0381

Molecular Formula

C23H27N3O5S (C23 H27 N3 O5 S)

Compound Name

4-oxo-N~3~-(3,4,5-triethoxybenzyl)-7,8-dihydro-4H,6H-cyclopenta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

IUPAC name

12-oxo-N-[(345-triethoxyphenyl)methyl]-7-thia-19-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)810-triene-11-carboxamide

SMILES

CCOc1cc(CNC(C2=CN=C3SC(CCC4)=C4N3C2=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C23H27N3O5S/c1-4-29-17-10-14(11-18(30-5-2)20(17)31-6-3)12-24-21(27)15-13-25-23-26(22(15)28)16-8-7-9-19(16)32-23/h10-11,13H,4-9,12H2,1-3H3,(H,24,27)

InChI Key

ORTOVVSSIZLWMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.292

Distribution Coefficient, logD

2.291

Water Solubility, LogSw

-2.69

Polar Surface Area

72.120

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with G595-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G595-0381?
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What is the minimum amount of G595-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G595-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G595-0381
  • 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 G595-0381 available by request