D487-0469 Screening compound: 5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-[(4-methylphenyl)methyl]-2,3-dihydro-1H-pyrrol-3-one

D487-0469 Screening compound: 5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-[(4-methylphenyl)methyl]-2,3-dihydro-1H-pyrrol-3-one
D487-0469 Screening compound: 5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-[(4-methylphenyl)methyl]-2,3-dihydro-1H-pyrrol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0469
5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-[(4-methylphenyl)methyl]-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

D487-0469

Molecular Formula

C19H18N4O (C19 H18 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN(CC2=O)C(N)=C2c2nc(cccc3)c3[nH]2)cc1

InChI

InChI=1S/C19H18N4O/c1-12-6-8-13(9-7-12)10-23-11-16(24)17(18(23)20)19-21-14-4-2-3-5-15(14)22-19/h2-9H,10-11,20H2,1H3,(H,21,22)

InChI Key

QHYBHGAQYQUVHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08072711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.636

Distribution Coefficient, logD

2.636

Water Solubility, LogSw

-2.86

Polar Surface Area

56.436

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D487-0469 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D487-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0469?
Check Price and Availability of D487-0469, 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 D487-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0469
  • 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 D487-0469 available by request