D212-0041 Screening compound: 1-(2-chlorophenyl)-4-[1-(prop-2-yn-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

D212-0041 Screening compound: 1-(2-chlorophenyl)-4-[1-(prop-2-yn-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one
D212-0041 Screening compound: 1-(2-chlorophenyl)-4-[1-(prop-2-yn-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D212-0041
1-(2-chlorophenyl)-4-[1-(prop-2-yn-1-yl)-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

D212-0041

Molecular Formula

C20H16ClN3O (C20 H16 ClN3 O)

Compound Name

1-(2-chlorophenyl)-4-[1-(prop-2-yn-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

IUPAC name

1-(2-chlorophenyl)-4-[1-(prop-2-yn-1-yl)-1H-13-benzodiazol-2-yl]pyrrolidin-2-one

SMILES

C#CCn1c(cccc2)c2nc1C(CC1=O)CN1c(cccc1)c1Cl

InChI

InChI=1S/C20H16ClN3O/c1-2-11-23-18-10-6-4-8-16(18)22-20(23)14-12-19(25)24(13-14)17-9-5-3-7-15(17)21/h1,3-10,14H,11-13H2/t14-/m1/s1

InChI Key

APKOHYJXJOYEGS-CQSZACIVSA-N

MDL Number (MFCD)

MFCD08163150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.040

Distribution Coefficient, logD

4.040

Water Solubility, LogSw

-4.18

Polar Surface Area

26.594

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D212-0041 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D212-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D212-0041?
Check Price and Availability of D212-0041, 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 D212-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D212-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D212-0041
  • 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 D212-0041 available by request