D086-0165 Screening compound: 4-[5-amino-4-(6-methyl-1H-1,3-benzodiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[2-(diethylamino)ethyl]benzamide

D086-0165 Screening compound: 4-[5-amino-4-(6-methyl-1H-1,3-benzodiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[2-(diethylamino)ethyl]benzamide
D086-0165 Screening compound: 4-[5-amino-4-(6-methyl-1H-1,3-benzodiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[2-(diethylamino)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D086-0165
4-[5-amino-4-(6-methyl-1H-1,3-benzodiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[2-(diethylamino)ethyl]benzamide

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

D086-0165

Molecular Formula

C25H30N6O2 (C25 H30 N6 O2)

Compound Name

4-[5-amino-4-(6-methyl-1H-1,3-benzodiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[2-(diethylamino)ethyl]benzamide

IUPAC name

4-[5-amino-4-(6-methyl-1H-13-benzodiazol-2-yl)-3-oxo-23-dihydro-1H-pyrrol-1-yl]-N-[2-(diethylamino)ethyl]benzamide

SMILES

CCN(CC)CCNC(c(cc1)ccc1N(CC1=O)C(N)=C1c1nc(ccc(C)c2)c2[nH]1)=O

InChI

InChI=1S/C25H30N6O2/c1-4-30(5-2)13-12-27-25(33)17-7-9-18(10-8-17)31-15-21(32)22(23(31)26)24-28-19-11-6-16(3)14-20(19)29-24/h6-11,14H,4-5,12-13,15,26H2,1-3H3,(H,27,33)(H,28,29)

InChI Key

WJTPFNRCSXRGIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09057096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.652

Distribution Coefficient, logD

1.538

Water Solubility, LogSw

-2.93

Polar Surface Area

83.928

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

D086-0165 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with D086-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D086-0165?
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What is the minimum amount of D086-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D086-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D086-0165
  • 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 D086-0165 available by request