G768-3544 Screening compound: 7-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-2-cyclohexyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G768-3544 Screening compound: 7-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-2-cyclohexyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G768-3544 Screening compound: 7-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-2-cyclohexyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G768-3544
7-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-2-cyclohexyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-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

G768-3544

Molecular Formula

C28H32N4O2S (C28 H32 N4 O2 S)

Compound Name

7-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-2-cyclohexyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

7-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-2-cyclohexyl-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CCOc1ccc(CN(Cc2ccccc2)CC(N=C2SC(C3CCCCC3)=NN22)=CC2=O)cc1

InChI

InChI=1S/C28H32N4O2S/c1-2-34-25-15-13-22(14-16-25)19-31(18-21-9-5-3-6-10-21)20-24-17-26(33)32-28(29-24)35-27(30-32)23-11-7-4-8-12-23/h3,5-6,9-10,13-17,23H,2,4,7-8,11-12,18-20H2,1H3

InChI Key

ZGZBDAVRQUNYGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27157431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.750

Distribution Coefficient, logD

5.733

Water Solubility, LogSw

-5.22

Polar Surface Area

49.027

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

G768-3544 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G768-3544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-3544?
Check Price and Availability of G768-3544, 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 G768-3544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-3544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-3544
  • 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 G768-3544 available by request