C800-0851 Screening compound: 1-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}-3-(2-methylpropyl)urea

C800-0851 Screening compound: 1-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}-3-(2-methylpropyl)urea
C800-0851 Screening compound: 1-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}-3-(2-methylpropyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0851
1-{[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}-3-(2-methylpropyl)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

C800-0851

Molecular Formula

C18H26N4OS (C18 H26 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CNC(NCc1c(-n2cccc2)sc2c1CCN(C)C2)=O

InChI

InChI=1S/C18H26N4OS/c1-13(2)10-19-18(23)20-11-15-14-6-9-21(3)12-16(14)24-17(15)22-7-4-5-8-22/h4-5,7-8,13H,6,9-12H2,1-3H3,(H2,19,20,23)

InChI Key

NAOUCQMVIHNTKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.5

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

2.913

Distribution Coefficient, logD

1.149

Water Solubility, LogSw

-3.25

Polar Surface Area

43.843

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C800-0851 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C800-0851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0851?
Check Price and Availability of C800-0851, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C800-0851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0851
  • 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 C800-0851 available by request