8016-8543 Screening compound: N-[2-(2,3-dihydro-1H-indol-1-yl)-5-fluoro-4-pyrimidinyl]-N-methylamine

8016-8543 Screening compound: N-[2-(2,3-dihydro-1H-indol-1-yl)-5-fluoro-4-pyrimidinyl]-N-methylamine
8016-8543 Screening compound: N-[2-(2,3-dihydro-1H-indol-1-yl)-5-fluoro-4-pyrimidinyl]-N-methylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8543
N-[2-(2,3-dihydro-1H-indol-1-yl)-5-fluoro-4-pyrimidinyl]-N-methylamine

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

8016-8543

Molecular Formula

C13H13FN4 (C13 H13 FN4)

Compound Name

N-[2-(2,3-dihydro-1H-indol-1-yl)-5-fluoro-4-pyrimidinyl]-N-methylamine

IUPAC name

2-(23-dihydro-1H-indol-1-yl)-5-fluoro-N-methylpyrimidin-4-amine

SMILES

CNc(nc(N(CC1)c2c1cccc2)nc1)c1F

InChI

InChI=1S/C13H13FN4/c1-15-12-10(14)8-16-13(17-12)18-7-6-9-4-2-3-5-11(9)18/h2-5,8H,6-7H2,1H3,(H,15,16,17)

InChI Key

PJTOEBAVIIWJKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05239049

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

244.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.708

Distribution Coefficient, logD

2.708

Water Solubility, LogSw

-2.67

Polar Surface Area

32.037

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

8016-8543 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8016-8543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8543?
Check Price and Availability of 8016-8543, 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 8016-8543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8543
  • 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 8016-8543 available by request