C885-4740 Screening compound: N-[2-(azepan-1-yl)ethyl]-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide

C885-4740 Screening compound: N-[2-(azepan-1-yl)ethyl]-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
C885-4740 Screening compound: N-[2-(azepan-1-yl)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 C885-4740
N-[2-(azepan-1-yl)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

C885-4740

Molecular Formula

C22H34N6O2S (C22 H34 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCC(N=C1SC(N(CC2)CCC2C(NCCN2CCCCCC2)=O)=NN11)=CC1=O

InChI

InChI=1S/C22H34N6O2S/c1-2-7-18-16-19(29)28-21(24-18)31-22(25-28)27-13-8-17(9-14-27)20(30)23-10-15-26-11-5-3-4-6-12-26/h16-17H,2-15H2,1H3,(H,23,30)

InChI Key

FMTVKKZJJHGMIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.655

Distribution Coefficient, logD

0.872

Water Solubility, LogSw

-2.87

Polar Surface Area

70.146

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.70

References: we are preparing a list of scientific research reports with C885-4740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-4740?
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What is the minimum amount of C885-4740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-4740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-4740
  • 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 C885-4740 available by request