G205-1046 Screening compound: 2-(azepan-1-yl)-6-(4-benzylpiperazine-1-carbonyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G205-1046 Screening compound: 2-(azepan-1-yl)-6-(4-benzylpiperazine-1-carbonyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G205-1046 Screening compound: 2-(azepan-1-yl)-6-(4-benzylpiperazine-1-carbonyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G205-1046
2-(azepan-1-yl)-6-(4-benzylpiperazine-1-carbonyl)-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

G205-1046

Molecular Formula

C23H28N6O2S (C23 H28 N6 O2 S)

Compound Name

2-(azepan-1-yl)-6-(4-benzylpiperazine-1-carbonyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

2-(azepan-1-yl)-6-(4-benzylpiperazine-1-carbonyl)-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

O=C(C1=CN=C2SC(N3CCCCCC3)=NN2C1=O)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C23H28N6O2S/c30-20(27-14-12-26(13-15-27)17-18-8-4-3-5-9-18)19-16-24-22-29(21(19)31)25-23(32-22)28-10-6-1-2-7-11-28/h3-5,8-9,16H,1-2,6-7,10-15,17H2

InChI Key

MRALMZCYKJFBHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14985562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.514

Distribution Coefficient, logD

2.494

Water Solubility, LogSw

-2.51

Polar Surface Area

61.346

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

G205-1046 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G205-1046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G205-1046?
Check Price and Availability of G205-1046, 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 G205-1046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G205-1046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G205-1046
  • 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 G205-1046 available by request