G896-0664 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

G896-0664 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
G896-0664 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G896-0664
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-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

G896-0664

Molecular Formula

C18H17N3O4S (C18 H17 N3 O4 S)

Compound Name

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

IUPAC name

N-[1-(23-dihydro-14-benzodioxin-6-yl)ethyl]-3-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidine-6-carboxamide

SMILES

CC(c(cc1)cc2c1OCCO2)NC(C1=CN=C2SC=C(C)N2C1=O)=O

InChI

InChI=1S/C18H17N3O4S/c1-10-9-26-18-19-8-13(17(23)21(10)18)16(22)20-11(2)12-3-4-14-15(7-12)25-6-5-24-14/h3-4,7-9,11H,5-6H2,1-2H3,(H,20,22)/t11-/m0/s1

InChI Key

UHTNUARABPQTRX-NSHDSACASA-N

MDL Number (MFCD)

MFCD15074249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.076

Distribution Coefficient, logD

1.075

Water Solubility, LogSw

-2.39

Polar Surface Area

64.507

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

G896-0664 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G896-0664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G896-0664?
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What is the minimum amount of G896-0664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G896-0664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G896-0664
  • 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 G896-0664 available by request