E635-0057 Screening compound: 1-benzyl-3-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}urea

E635-0057 Screening compound: 1-benzyl-3-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}urea
E635-0057 Screening compound: 1-benzyl-3-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E635-0057
1-benzyl-3-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}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

E635-0057

Molecular Formula

C21H24N4OS (C21 H24 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)Cc2c1c(CNC(NCc1ccccc1)=O)c(-n1cccc1)s2

InChI

InChI=1S/C21H24N4OS/c1-24-12-9-17-18(20(27-19(17)15-24)25-10-5-6-11-25)14-23-21(26)22-13-16-7-3-2-4-8-16/h2-8,10-11H,9,12-15H2,1H3,(H2,22,23,26)

InChI Key

KKXWEGKFHUDDDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.035

Distribution Coefficient, logD

1.271

Water Solubility, LogSw

-3.40

Polar Surface Area

43.571

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E635-0057 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 E635-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E635-0057?
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What is the minimum amount of E635-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E635-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E635-0057
  • 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 E635-0057 available by request