D086-0381 Screening compound: 5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-pyrrol-3-one

D086-0381 Screening compound: 5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-pyrrol-3-one
D086-0381 Screening compound: 5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-pyrrol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D086-0381
5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-[(oxolan-2-yl)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

D086-0381

Molecular Formula

C16H18N4O2 (C16 H18 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

NC(N(CC1OCCC1)CC1=O)=C1c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C16H18N4O2/c17-15-14(16-18-11-5-1-2-6-12(11)19-16)13(21)9-20(15)8-10-4-3-7-22-10/h1-2,5-6,10H,3-4,7-9,17H2,(H,18,19)/t10-/m1/s1

InChI Key

DZKKMQVJNPNRFL-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD02704934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.932

Distribution Coefficient, logD

0.932

Water Solubility, LogSw

-2.05

Polar Surface Area

65.090

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D086-0381 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D086-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D086-0381?
Check Price and Availability of D086-0381, 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 D086-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D086-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D086-0381
  • 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 D086-0381 available by request