C885-4802 Screening compound: 2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C885-4802 Screening compound: 2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
C885-4802 Screening compound: 2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C885-4802
2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-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

C885-4802

Molecular Formula

C20H29N5O2S (C20 H29 N5 O2 S)

Compound Name

2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-7-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CCCC(N=C1SC(N(CC2)CCC2C(N2CCC(C)CC2)=O)=NN11)=CC1=O

InChI

InChI=1S/C20H29N5O2S/c1-3-4-16-13-17(26)25-19(21-16)28-20(22-25)24-11-7-15(8-12-24)18(27)23-9-5-14(2)6-10-23/h13-15H,3-12H2,1-2H3

InChI Key

ZHMMHLGAJPKCNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.983

Distribution Coefficient, logD

2.980

Water Solubility, LogSw

-3.10

Polar Surface Area

58.226

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

References: we are preparing a list of scientific research reports with C885-4802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-4802?
Check Price and Availability of C885-4802, 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 C885-4802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-4802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-4802
  • 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 C885-4802 available by request