C885-4659 Screening compound: N-[3-(morpholin-4-yl)propyl]-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide

C885-4659 Screening compound: N-[3-(morpholin-4-yl)propyl]-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
C885-4659 Screening compound: N-[3-(morpholin-4-yl)propyl]-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C885-4659
N-[3-(morpholin-4-yl)propyl]-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide

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

C885-4659

Molecular Formula

C21H32N6O3S (C21 H32 N6 O3 S)

Compound Name

N-[3-(morpholin-4-yl)propyl]-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide

IUPAC name

N-[3-(morpholin-4-yl)propyl]-1-{5-oxo-7-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-2-yl}piperidine-4-carboxamide

SMILES

CCCC(N=C1SC(N(CC2)CCC2C(NCCCN2CCOCC2)=O)=NN11)=CC1=O

InChI

InChI=1S/C21H32N6O3S/c1-2-4-17-15-18(28)27-20(23-17)31-21(24-27)26-9-5-16(6-10-26)19(29)22-7-3-8-25-11-13-30-14-12-25/h15-16H,2-14H2,1H3,(H,22,29)

InChI Key

QYWHKVUHHDCMGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.175

Distribution Coefficient, logD

0.751

Water Solubility, LogSw

-1.91

Polar Surface Area

77.724

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

References: we are preparing a list of scientific research reports with C885-4659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-4659?
Check Price and Availability of C885-4659, 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 C885-4659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-4659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-4659
  • 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 C885-4659 available by request