C201-1768 Screening compound: (3-fluoro-4-methoxyphenyl)methyl 1-(6-{[4-(propan-2-yl)phenyl]sulfanyl}pyridazin-3-yl)piperidine-4-carboxylate

C201-1768 Screening compound: (3-fluoro-4-methoxyphenyl)methyl 1-(6-{[4-(propan-2-yl)phenyl]sulfanyl}pyridazin-3-yl)piperidine-4-carboxylate
C201-1768 Screening compound: (3-fluoro-4-methoxyphenyl)methyl 1-(6-{[4-(propan-2-yl)phenyl]sulfanyl}pyridazin-3-yl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1768
(3-fluoro-4-methoxyphenyl)methyl 1-(6-{[4-(propan-2-yl)phenyl]sulfanyl}pyridazin-3-yl)piperidine-4-carboxylate

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

C201-1768

Molecular Formula

C27H30FN3O3S (C27 H30 FN3 O3 S)

Compound Name

(3-fluoro-4-methoxyphenyl)methyl 1-(6-{[4-(propan-2-yl)phenyl]sulfanyl}pyridazin-3-yl)piperidine-4-carboxylate

IUPAC name

(3-fluoro-4-methoxyphenyl)methyl 1-(6-{[4-(propan-2-yl)phenyl]sulfanyl}pyridazin-3-yl)piperidine-4-carboxylate

SMILES

CC(C)c(cc1)ccc1Sc(cc1)nnc1N(CC1)CCC1C(OCc(cc1)cc(F)c1OC)=O

InChI

InChI=1S/C27H30FN3O3S/c1-18(2)20-5-7-22(8-6-20)35-26-11-10-25(29-30-26)31-14-12-21(13-15-31)27(32)34-17-19-4-9-24(33-3)23(28)16-19/h4-11,16,18,21H,12-15,17H2,1-3H3

InChI Key

QCCRPZGZEJHFFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.667

Distribution Coefficient, logD

6.667

Water Solubility, LogSw

-5.68

Polar Surface Area

52.475

Acid Dissociation Constant (pKa)

22.26

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C201-1768 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C201-1768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1768?
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What is the minimum amount of C201-1768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1768
  • 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 C201-1768 available by request