1185-0369 Screening compound: 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-methylphenyl)-1-ethanone

1185-0369 Screening compound: 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-methylphenyl)-1-ethanone
1185-0369 Screening compound: 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-methylphenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 1185-0369
2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-methylphenyl)-1-ethanone

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

1185-0369

Molecular Formula

C13H16N2O (C13 H16 N2 O)

Compound Name

2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-methylphenyl)-1-ethanone

IUPAC name

n/a

SMILES

Cc(cc1)ccc1C(CNC1=NCCC1)=O

InChI

InChI=1S/C13H16N2O/c1-10-4-6-11(7-5-10)12(16)9-15-13-3-2-8-14-13/h4-7H,2-3,8-9H2,1H3,(H,14,15)

InChI Key

CNPWMQDJZLVGLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00994518

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

216.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.094

Distribution Coefficient, logD

-1.475

Water Solubility, LogSw

-2.65

Polar Surface Area

34.595

Acid Dissociation Constant (pKa)

16.41

Base Dissociation Constant (pKb)

10.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

1185-0369 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1185-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1185-0369?
Check Price and Availability of 1185-0369, 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 1185-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1185-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1185-0369
  • 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 1185-0369 available by request