D086-0002 Screening compound: 5-amino-4-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(4-methylphenyl)-2,3-dihydro-1H-pyrrol-3-one

D086-0002 Screening compound: 5-amino-4-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(4-methylphenyl)-2,3-dihydro-1H-pyrrol-3-one
D086-0002 Screening compound: 5-amino-4-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(4-methylphenyl)-2,3-dihydro-1H-pyrrol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D086-0002
5-amino-4-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(4-methylphenyl)-2,3-dihydro-1H-pyrrol-3-one

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

D086-0002

Molecular Formula

C19H18N4O (C19 H18 N4 O)

Compound Name

5-amino-4-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(4-methylphenyl)-2,3-dihydro-1H-pyrrol-3-one

IUPAC name

5-amino-4-(1-methyl-1H-13-benzodiazol-2-yl)-1-(4-methylphenyl)-23-dihydro-1H-pyrrol-3-one

SMILES

Cc(cc1)ccc1N(CC1=O)C(N)=C1c1nc(cccc2)c2n1C

InChI

InChI=1S/C19H18N4O/c1-12-7-9-13(10-8-12)23-11-16(24)17(18(23)20)19-21-14-5-3-4-6-15(14)22(19)2/h3-10H,11,20H2,1-2H3

InChI Key

UTLIMDSYMMFUSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02981690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.035

Distribution Coefficient, logD

3.035

Water Solubility, LogSw

-3.14

Polar Surface Area

47.709

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D086-0002 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D086-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D086-0002?
Check Price and Availability of D086-0002, 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 D086-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D086-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D086-0002
  • 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 D086-0002 available by request