C885-4774 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide

C885-4774 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
C885-4774 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-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 C885-4774
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-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

C885-4774

Molecular Formula

C23H29N5O2S2 (C23 H29 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCC(N=C1SC(N(CC2)CCC2C(NCCc(cc2)ccc2SC)=O)=NN11)=CC1=O

InChI

InChI=1S/C23H29N5O2S2/c1-3-4-18-15-20(29)28-22(25-18)32-23(26-28)27-13-10-17(11-14-27)21(30)24-12-9-16-5-7-19(31-2)8-6-16/h5-8,15,17H,3-4,9-14H2,1-2H3,(H,24,30)

InChI Key

PJSRYZMLJVJVTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.632

Distribution Coefficient, logD

3.629

Water Solubility, LogSw

-3.67

Polar Surface Area

65.833

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with C885-4774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-4774?
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What is the minimum amount of C885-4774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-4774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-4774
  • 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 C885-4774 available by request