M046-0318 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({1-[(4-fluorophenyl)methyl]-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)acetamide

M046-0318 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({1-[(4-fluorophenyl)methyl]-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)acetamide
M046-0318 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({1-[(4-fluorophenyl)methyl]-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M046-0318
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({1-[(4-fluorophenyl)methyl]-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)acetamide

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

M046-0318

Molecular Formula

C24H26FN3OS (C24 H26 FN3 OS)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({1-[(4-fluorophenyl)methyl]-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({1-[(4-fluorophenyl)methyl]-1H-pyrrolo[32-c]pyridin-4-yl}sulfanyl)acetamide

SMILES

O=C(CSc1nccc2c1ccn2Cc(cc1)ccc1F)NCCC1=CCCCC1

InChI

InChI=1S/C24H26FN3OS/c25-20-8-6-19(7-9-20)16-28-15-12-21-22(28)11-14-27-24(21)30-17-23(29)26-13-10-18-4-2-1-3-5-18/h4,6-9,11-12,14-15H,1-3,5,10,13,16-17H2,(H,26,29)

InChI Key

NTQYGOOCHZGRII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.174

Distribution Coefficient, logD

4.155

Water Solubility, LogSw

-4.19

Polar Surface Area

35.490

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M046-0318 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M046-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M046-0318?
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What is the minimum amount of M046-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M046-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M046-0318
  • 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 M046-0318 available by request