P101-1799 Screening compound: N~2~-[2-(dimethylamino)ethyl]-5-(4-fluorobenzyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

P101-1799 Screening compound: N~2~-[2-(dimethylamino)ethyl]-5-(4-fluorobenzyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
P101-1799 Screening compound: N~2~-[2-(dimethylamino)ethyl]-5-(4-fluorobenzyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P101-1799
N~2~-[2-(dimethylamino)ethyl]-5-(4-fluorobenzyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

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

P101-1799

Molecular Formula

C20H27FN4O (C20 H27 FN4 O)

Compound Name

N~2~-[2-(dimethylamino)ethyl]-5-(4-fluorobenzyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

IUPAC name

N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methyl]-1-methyl-1H4H5H6H7H-pyrrolo[32-c]pyridine-2-carboxamide

SMILES

CN(C)CCNC(c1cc(CN(Cc(cc2)ccc2F)CC2)c2n1C)=O

InChI

InChI=1S/C20H27FN4O/c1-23(2)11-9-22-20(26)19-12-16-14-25(10-8-18(16)24(19)3)13-15-4-6-17(21)7-5-15/h4-7,12H,8-11,13-14H2,1-3H3,(H,22,26)

InChI Key

FNRWBYDBSZYNCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27564822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.693

Distribution Coefficient, logD

-0.716

Water Solubility, LogSw

-2.36

Polar Surface Area

34.042

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

9.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

P101-1799 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P101-1799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P101-1799?
Check Price and Availability of P101-1799, 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 P101-1799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P101-1799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P101-1799
  • 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 P101-1799 available by request