M046-0696 Screening compound: 2-({1-benzyl-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)-N-(3,4,5-trimethoxyphenyl)acetamide

M046-0696 Screening compound: 2-({1-benzyl-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)-N-(3,4,5-trimethoxyphenyl)acetamide
M046-0696 Screening compound: 2-({1-benzyl-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)-N-(3,4,5-trimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M046-0696
2-({1-benzyl-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)-N-(3,4,5-trimethoxyphenyl)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

M046-0696

Molecular Formula

C25H25N3O4S (C25 H25 N3 O4 S)

Compound Name

2-({1-benzyl-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)-N-(3,4,5-trimethoxyphenyl)acetamide

IUPAC name

2-({1-benzyl-1H-pyrrolo[32-c]pyridin-4-yl}sulfanyl)-N-(345-trimethoxyphenyl)acetamide

SMILES

COc1cc(NC(CSc2nccc3c2ccn3Cc2ccccc2)=O)cc(OC)c1OC

InChI

InChI=1S/C25H25N3O4S/c1-30-21-13-18(14-22(31-2)24(21)32-3)27-23(29)16-33-25-19-10-12-28(20(19)9-11-26-25)15-17-7-5-4-6-8-17/h4-14H,15-16H2,1-3H3,(H,27,29)

InChI Key

VSPZXCMVSFDUNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

3.698

Water Solubility, LogSw

-4.05

Polar Surface Area

57.112

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

M046-0696 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system

References: we are preparing a list of scientific research reports with M046-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M046-0696?
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What is the minimum amount of M046-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M046-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M046-0696
  • 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 M046-0696 available by request