C885-4561 Screening compound: 2-(methyl{2-oxo-2-[4-(2-pyrimidinyl)piperazino]ethyl}amino)-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C885-4561 Screening compound: 2-(methyl{2-oxo-2-[4-(2-pyrimidinyl)piperazino]ethyl}amino)-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
C885-4561 Screening compound: 2-(methyl{2-oxo-2-[4-(2-pyrimidinyl)piperazino]ethyl}amino)-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C885-4561
2-(methyl{2-oxo-2-[4-(2-pyrimidinyl)piperazino]ethyl}amino)-7-propyl-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

C885-4561

Molecular Formula

C19H24N8O2S (C19 H24 N8 O2 S)

Compound Name

2-(methyl{2-oxo-2-[4-(2-pyrimidinyl)piperazino]ethyl}amino)-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

2-[methyl({2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl})amino]-7-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CCCC(N=C1SC(N(C)CC(N(CC2)CCN2c2ncccn2)=O)=NN11)=CC1=O

InChI

InChI=1S/C19H24N8O2S/c1-3-5-14-12-15(28)27-18(22-14)30-19(23-27)24(2)13-16(29)25-8-10-26(11-9-25)17-20-6-4-7-21-17/h4,6-7,12H,3,5,8-11,13H2,1-2H3

InChI Key

LWMUFDCOOVAISI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.559

Distribution Coefficient, logD

0.756

Water Solubility, LogSw

-1.85

Polar Surface Area

79.095

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

C885-4561 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C885-4561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-4561?
Check Price and Availability of C885-4561, 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 C885-4561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-4561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-4561
  • 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 C885-4561 available by request