C630-0391 Screening compound: 1-(2,5-dimethoxyphenyl)-4-(1-propyl-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one

C630-0391 Screening compound: 1-(2,5-dimethoxyphenyl)-4-(1-propyl-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one
C630-0391 Screening compound: 1-(2,5-dimethoxyphenyl)-4-(1-propyl-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C630-0391
1-(2,5-dimethoxyphenyl)-4-(1-propyl-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

C630-0391

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

1-(2,5-dimethoxyphenyl)-4-(1-propyl-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one

IUPAC name

1-(25-dimethoxyphenyl)-4-(1-propyl-1H-13-benzodiazol-2-yl)pyrrolidin-2-one

SMILES

CCCn1c(cccc2)c2nc1C(CC1=O)CN1c(cc(cc1)OC)c1OC

InChI

InChI=1S/C22H25N3O3/c1-4-11-24-18-8-6-5-7-17(18)23-22(24)15-12-21(26)25(14-15)19-13-16(27-2)9-10-20(19)28-3/h5-10,13,15H,4,11-12,14H2,1-3H3/t15-/m1/s1

InChI Key

CHDCJBYYCLTTFB-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD04471839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.21

Polar Surface Area

41.769

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

C630-0391 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C630-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0391?
Check Price and Availability of C630-0391, 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 C630-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0391
  • 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 C630-0391 available by request