G768-3105 Screening compound: 7-({benzyl[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G768-3105 Screening compound: 7-({benzyl[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G768-3105 Screening compound: 7-({benzyl[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G768-3105
7-({benzyl[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2-(propan-2-yl)-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

G768-3105

Molecular Formula

C25H28N4O3S (C25 H28 N4 O3 S)

Compound Name

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

IUPAC name

7-({benzyl[(34-dimethoxyphenyl)methyl]amino}methyl)-2-(propan-2-yl)-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CC(C)C(SC1=NC(CN(Cc2ccccc2)Cc(cc2)cc(OC)c2OC)=C2)=NN1C2=O

InChI

InChI=1S/C25H28N4O3S/c1-17(2)24-27-29-23(30)13-20(26-25(29)33-24)16-28(14-18-8-6-5-7-9-18)15-19-10-11-21(31-3)22(12-19)32-4/h5-13,17H,14-16H2,1-4H3

InChI Key

GSPIVPTVCNRWBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27157370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.963

Distribution Coefficient, logD

3.642

Water Solubility, LogSw

-4.11

Polar Surface Area

57.243

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

G768-3105 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 G768-3105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-3105?
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What is the minimum amount of G768-3105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-3105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-3105
  • 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 G768-3105 available by request