C800-0842 Screening compound: 3-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}-1-[3-(methylsulfanyl)phenyl]urea

C800-0842 Screening compound: 3-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}-1-[3-(methylsulfanyl)phenyl]urea
C800-0842 Screening compound: 3-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}-1-[3-(methylsulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0842
3-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}-1-[3-(methylsulfanyl)phenyl]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

C800-0842

Molecular Formula

C21H24N4OS2 (C21 H24 N4 OS2)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)Cc2c1c(CNC(Nc1cc(SC)ccc1)=O)c(-n1cccc1)s2

InChI

InChI=1S/C21H24N4OS2/c1-24-11-8-17-18(20(28-19(17)14-24)25-9-3-4-10-25)13-22-21(26)23-15-6-5-7-16(12-15)27-2/h3-7,9-10,12H,8,11,13-14H2,1-2H3,(H2,22,23,26)

InChI Key

AJRGSLQVGKHHFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

2.483

Water Solubility, LogSw

-4.27

Polar Surface Area

42.249

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C800-0842 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 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 C800-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0842?
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What is the minimum amount of C800-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0842
  • 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 C800-0842 available by request