G769-0381 Screening compound: 2-{[(4-chlorobenzyl)(propyl)amino]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one

G769-0381 Screening compound: 2-{[(4-chlorobenzyl)(propyl)amino]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
G769-0381 Screening compound: 2-{[(4-chlorobenzyl)(propyl)amino]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G769-0381
2-{[(4-chlorobenzyl)(propyl)amino]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-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

G769-0381

Molecular Formula

C21H24ClN3OS (C21 H24 ClN3 OS)

Compound Name

2-{[(4-chlorobenzyl)(propyl)amino]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one

IUPAC name

11-({[(4-chlorophenyl)methyl](propyl)amino}methyl)-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-trien-13-one

SMILES

CCCN(Cc(cc1)ccc1Cl)CC(N=C1SC(CCCC2)=C2N11)=CC1=O

InChI

InChI=1S/C21H24ClN3OS/c1-2-11-24(13-15-7-9-16(22)10-8-15)14-17-12-20(26)25-18-5-3-4-6-19(18)27-21(25)23-17/h7-10,12H,2-6,11,13-14H2,1H3

InChI Key

HBNWBIFSGYYIBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15034863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.043

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-4.34

Polar Surface Area

30.065

Acid Dissociation Constant (pKa)

26.85

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

G769-0381 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G769-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G769-0381?
Check Price and Availability of G769-0381, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G769-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G769-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G769-0381
  • 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 G769-0381 available by request