M046-0674 Screening compound: ethyl 1-[2-({1-benzyl-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)acetyl]piperidine-4-carboxylate

M046-0674 Screening compound: ethyl 1-[2-({1-benzyl-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)acetyl]piperidine-4-carboxylate
M046-0674 Screening compound: ethyl 1-[2-({1-benzyl-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)acetyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M046-0674
ethyl 1-[2-({1-benzyl-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)acetyl]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

M046-0674

Molecular Formula

C24H27N3O3S (C24 H27 N3 O3 S)

Compound Name

ethyl 1-[2-({1-benzyl-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)acetyl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[2-({1-benzyl-1H-pyrrolo[32-c]pyridin-4-yl}sulfanyl)acetyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CSc1nccc2c1ccn2Cc1ccccc1)=O)=O

InChI

InChI=1S/C24H27N3O3S/c1-2-30-24(29)19-9-13-26(14-10-19)22(28)17-31-23-20-11-15-27(21(20)8-12-25-23)16-18-6-4-3-5-7-18/h3-8,11-12,15,19H,2,9-10,13-14,16-17H2,1H3

InChI Key

BPWDOJHFZVHNSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.56

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

3.494

Distribution Coefficient, logD

3.399

Water Solubility, LogSw

-3.43

Polar Surface Area

48.131

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

M046-0674 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with M046-0674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M046-0674?
Check Price and Availability of M046-0674, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M046-0674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M046-0674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M046-0674
  • 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 M046-0674 available by request