G595-0211 Screening compound: N~3~-(3,4-diethoxyphenethyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

G595-0211 Screening compound: N~3~-(3,4-diethoxyphenethyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
G595-0211 Screening compound: N~3~-(3,4-diethoxyphenethyl)-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 G595-0211
N~3~-(3,4-diethoxyphenethyl)-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

G595-0211

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

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

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-13-oxo-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-triene-12-carboxamide

SMILES

CCOc(ccc(CCNC(C1=CN=C2SC(CCCC3)=C3N2C1=O)=O)c1)c1OCC

InChI

InChI=1S/C23H27N3O4S/c1-3-29-18-10-9-15(13-19(18)30-4-2)11-12-24-21(27)16-14-25-23-26(22(16)28)17-7-5-6-8-20(17)31-23/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,24,27)

InChI Key

PANJJDGHTSQLOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15021769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.824

Distribution Coefficient, logD

1.822

Water Solubility, LogSw

-2.48

Polar Surface Area

64.299

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

G595-0211 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G595-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G595-0211?
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What is the minimum amount of G595-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G595-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G595-0211
  • 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 G595-0211 available by request