E635-0044 Screening compound: 3-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}-1-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

E635-0044 Screening compound: 3-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}-1-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
E635-0044 Screening compound: 3-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}-1-(5,6,7,8-tetrahydronaphthalen-1-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E635-0044
3-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}-1-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

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

E635-0044

Molecular Formula

C24H28N4OS (C24 H28 N4 OS)

Compound Name

3-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}-1-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

IUPAC name

3-{[6-methyl-2-(1H-pyrrol-1-yl)-4H5H6H7H-thieno[23-c]pyridin-3-yl]methyl}-1-(5678-tetrahydronaphthalen-1-yl)urea

SMILES

CN(CC1)Cc2c1c(CNC(Nc1c(CCCC3)c3ccc1)=O)c(-n1cccc1)s2

InChI

InChI=1S/C24H28N4OS/c1-27-14-11-19-20(23(30-22(19)16-27)28-12-4-5-13-28)15-25-24(29)26-21-10-6-8-17-7-2-3-9-18(17)21/h4-6,8,10,12-13H,2-3,7,9,11,14-16H2,1H3,(H2,25,26,29)

InChI Key

QRGJGWYLNHEMQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.823

Distribution Coefficient, logD

3.059

Water Solubility, LogSw

-4.40

Polar Surface Area

41.472

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

E635-0044 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E635-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E635-0044?
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What is the minimum amount of E635-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E635-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E635-0044
  • 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 E635-0044 available by request