D347-2080 Screening compound: 1-(2,6-dimethylphenyl)-4-{1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

D347-2080 Screening compound: 1-(2,6-dimethylphenyl)-4-{1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
D347-2080 Screening compound: 1-(2,6-dimethylphenyl)-4-{1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-2080
1-(2,6-dimethylphenyl)-4-{1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-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

D347-2080

Molecular Formula

C27H32N4O2 (C27 H32 N4 O2)

Compound Name

1-(2,6-dimethylphenyl)-4-{1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

IUPAC name

1-(26-dimethylphenyl)-4-{1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-13-benzodiazol-2-yl}pyrrolidin-2-one

SMILES

CC(CC1)CCN1C(Cn1c(cccc2)c2nc1C(CC1=O)CN1c1c(C)cccc1C)=O

InChI

InChI=1S/C27H32N4O2/c1-18-11-13-29(14-12-18)25(33)17-30-23-10-5-4-9-22(23)28-27(30)21-15-24(32)31(16-21)26-19(2)7-6-8-20(26)3/h4-10,18,21H,11-17H2,1-3H3/t21-/m1/s1

InChI Key

HBXDSJXGUSBITO-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD10555335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.285

Distribution Coefficient, logD

4.285

Water Solubility, LogSw

-4.22

Polar Surface Area

42.436

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

D347-2080 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D347-2080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-2080?
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What is the minimum amount of D347-2080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-2080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-2080
  • 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 D347-2080 available by request