4159-0153 Screening compound: 3-butyl-2-hydrazino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

4159-0153 Screening compound: 3-butyl-2-hydrazino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
4159-0153 Screening compound: 3-butyl-2-hydrazino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4159-0153
3-butyl-2-hydrazino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

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

4159-0153

Molecular Formula

C14H20N4OS (C14 H20 N4 OS)

Compound Name

3-butyl-2-hydrazino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

4-butyl-5-hydrazinyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CCCCN1C(NN)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C14H20N4OS/c1-2-3-8-18-13(19)11-9-6-4-5-7-10(9)20-12(11)16-14(18)17-15/h2-8,15H2,1H3,(H,16,17)

InChI Key

IQAUSEKFEOZZNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.482

Distribution Coefficient, logD

2.482

Water Solubility, LogSw

-2.51

Polar Surface Area

60.158

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

4159-0153 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4159-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4159-0153?
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What is the minimum amount of 4159-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4159-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4159-0153
  • 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 4159-0153 available by request