C800-0840 Screening compound: 1-[(4-fluorophenyl)methyl]-3-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}urea

C800-0840 Screening compound: 1-[(4-fluorophenyl)methyl]-3-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}urea
C800-0840 Screening compound: 1-[(4-fluorophenyl)methyl]-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 C800-0840
1-[(4-fluorophenyl)methyl]-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

C800-0840

Molecular Formula

C21H23FN4OS (C21 H23 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)Cc2c1c(CNC(NCc(cc1)ccc1F)=O)c(-n1cccc1)s2

InChI

InChI=1S/C21H23FN4OS/c1-25-11-8-17-18(20(28-19(17)14-25)26-9-2-3-10-26)13-24-21(27)23-12-15-4-6-16(22)7-5-15/h2-7,9-10H,8,11-14H2,1H3,(H2,23,24,27)

InChI Key

UCNUGZBIBZCINS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.5

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

3.064

Distribution Coefficient, logD

1.300

Water Solubility, LogSw

-3.34

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

C800-0840 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 C800-0840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0840?
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What is the minimum amount of C800-0840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0840
  • 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 C800-0840 available by request