G769-0472 Screening compound: 2-{[benzyl(4-methoxybenzyl)amino]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one

G769-0472 Screening compound: 2-{[benzyl(4-methoxybenzyl)amino]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
G769-0472 Screening compound: 2-{[benzyl(4-methoxybenzyl)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 G769-0472
2-{[benzyl(4-methoxybenzyl)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

G769-0472

Molecular Formula

C26H27N3O2S (C26 H27 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CN(Cc2ccccc2)CC(N=C2SC(CCCC3)=C3N22)=CC2=O)cc1

InChI

InChI=1S/C26H27N3O2S/c1-31-22-13-11-20(12-14-22)17-28(16-19-7-3-2-4-8-19)18-21-15-25(30)29-23-9-5-6-10-24(23)32-26(29)27-21/h2-4,7-8,11-15H,5-6,9-10,16-18H2,1H3

InChI Key

GRCMJHAHYALSKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15034884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.103

Distribution Coefficient, logD

4.072

Water Solubility, LogSw

-4.26

Polar Surface Area

37.359

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

G769-0472 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G769-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G769-0472?
Check Price and Availability of G769-0472, 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 G769-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G769-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G769-0472
  • 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 G769-0472 available by request