D212-0394 Screening compound: 1-(4-bromophenyl)-4-{1-[3-(dimethylamino)propyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

D212-0394 Screening compound: 1-(4-bromophenyl)-4-{1-[3-(dimethylamino)propyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
D212-0394 Screening compound: 1-(4-bromophenyl)-4-{1-[3-(dimethylamino)propyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D212-0394
1-(4-bromophenyl)-4-{1-[3-(dimethylamino)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

D212-0394

Molecular Formula

C22H25BrN4O (C22 H25 BrN4 O)

Compound Name

1-(4-bromophenyl)-4-{1-[3-(dimethylamino)propyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

IUPAC name

1-(4-bromophenyl)-4-{1-[3-(dimethylamino)propyl]-1H-13-benzodiazol-2-yl}pyrrolidin-2-one

SMILES

CN(C)CCCn1c(cccc2)c2nc1C(CC1=O)CN1c(cc1)ccc1Br

InChI

InChI=1S/C22H25BrN4O/c1-25(2)12-5-13-26-20-7-4-3-6-19(20)24-22(26)16-14-21(28)27(15-16)18-10-8-17(23)9-11-18/h3-4,6-11,16H,5,12-15H2,1-2H3/t16-/m1/s1

InChI Key

AKMWKZILVJRKLO-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD08362012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.931

Distribution Coefficient, logD

1.656

Water Solubility, LogSw

-3.90

Polar Surface Area

30.761

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

9.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

D212-0394 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D212-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D212-0394?
Check Price and Availability of D212-0394, 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 D212-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D212-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D212-0394
  • 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 D212-0394 available by request