F863-0606 Screening compound: N-cycloheptyl-1-{5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}piperidine-4-carboxamide

F863-0606 Screening compound: N-cycloheptyl-1-{5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}piperidine-4-carboxamide
F863-0606 Screening compound: N-cycloheptyl-1-{5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F863-0606
N-cycloheptyl-1-{5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}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

F863-0606

Molecular Formula

C24H31N5O4S (C24 H31 N5 O4 S)

Compound Name

N-cycloheptyl-1-{5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}piperidine-4-carboxamide

IUPAC name

N-cycloheptyl-1-{5-[(4-methoxyphenyl)carbamoyl]-134-thiadiazole-2-carbonyl}piperidine-4-carboxamide

SMILES

COc(cc1)ccc1NC(c1nnc(C(N(CC2)CCC2C(NC2CCCCCC2)=O)=O)s1)=O

InChI

InChI=1S/C24H31N5O4S/c1-33-19-10-8-18(9-11-19)26-21(31)22-27-28-23(34-22)24(32)29-14-12-16(13-15-29)20(30)25-17-6-4-2-3-5-7-17/h8-11,16-17H,2-7,12-15H2,1H3,(H,25,30)(H,26,31)

InChI Key

JAIUQEDLPJIMHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14968719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.202

Distribution Coefficient, logD

3.200

Water Solubility, LogSw

-3.50

Polar Surface Area

95.495

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

F863-0606 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F863-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F863-0606?
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What is the minimum amount of F863-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F863-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F863-0606
  • 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 F863-0606 available by request