M713-0095 Screening compound: 1-[2-(DIMETHYLAMINO)ETHYL]-N-(2-FLUOROBENZYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE

M713-0095 Screening compound: 1-[2-(DIMETHYLAMINO)ETHYL]-N-(2-FLUOROBENZYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE
M713-0095 Screening compound: 1-[2-(DIMETHYLAMINO)ETHYL]-N-(2-FLUOROBENZYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound M713-0095
1-[2-(DIMETHYLAMINO)ETHYL]-N-(2-FLUOROBENZYL)-2,5-DIMETHYL-1H-PYRROLE-3-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

M713-0095

Molecular Formula

C18H24FN3O (C18 H24 FN3 O)

Compound Name

1-[2-(DIMETHYLAMINO)ETHYL]-N-(2-FLUOROBENZYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE

IUPAC name

1-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-25-dimethyl-1H-pyrrole-3-carboxamide

SMILES

Cc1cc(C(NCc(cccc2)c2F)=O)c(C)n1CCN(C)C

InChI

InChI=1S/C18H24FN3O/c1-13-11-16(14(2)22(13)10-9-21(3)4)18(23)20-12-15-7-5-6-8-17(15)19/h5-8,11H,9-10,12H2,1-4H3,(H,20,23)

InChI Key

RITBHWGOHSFZDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27551933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.815

Distribution Coefficient, logD

2.359

Water Solubility, LogSw

-3.37

Polar Surface Area

30.689

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

M713-0095 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M713-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M713-0095?
Check Price and Availability of M713-0095, 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 M713-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M713-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M713-0095
  • 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 M713-0095 available by request