D358-0427 Screening compound: N~3~-isobutyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

D358-0427 Screening compound: N~3~-isobutyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
D358-0427 Screening compound: N~3~-isobutyl-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 D358-0427
N~3~-isobutyl-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

D358-0427

Molecular Formula

C15H19N3O2S (C15 H19 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CNC(C1=CN=C2SC(CCCC3)=C3N2C1=O)=O

InChI

InChI=1S/C15H19N3O2S/c1-9(2)7-16-13(19)10-8-17-15-18(14(10)20)11-5-3-4-6-12(11)21-15/h8-9H,3-7H2,1-2H3,(H,16,19)

InChI Key

DZJLBCRGVONILV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09777415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.4

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

1.467

Distribution Coefficient, logD

1.467

Water Solubility, LogSw

-1.99

Polar Surface Area

50.308

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

D358-0427 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D358-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D358-0427?
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What is the minimum amount of D358-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D358-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D358-0427
  • 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 D358-0427 available by request