D161-1265 Screening compound: 4-[1-(2-methylbutyl)-1H-1,3-benzodiazol-2-yl]-1-(prop-2-en-1-yl)pyrrolidin-2-one

D161-1265 Screening compound: 4-[1-(2-methylbutyl)-1H-1,3-benzodiazol-2-yl]-1-(prop-2-en-1-yl)pyrrolidin-2-one
D161-1265 Screening compound: 4-[1-(2-methylbutyl)-1H-1,3-benzodiazol-2-yl]-1-(prop-2-en-1-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D161-1265
4-[1-(2-methylbutyl)-1H-1,3-benzodiazol-2-yl]-1-(prop-2-en-1-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

D161-1265

Molecular Formula

C19H25N3O (C19 H25 N3 O)

Compound Name

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

IUPAC name

4-[1-(2-methylbutyl)-1H-13-benzodiazol-2-yl]-1-(prop-2-en-1-yl)pyrrolidin-2-one

SMILES

CCC(C)Cn1c(cccc2)c2nc1C(C1)CN(CC=C)C1=O

InChI

InChI=1S/C19H25N3O/c1-4-10-21-13-15(11-18(21)23)19-20-16-8-6-7-9-17(16)22(19)12-14(3)5-2/h4,6-9,14-15H,1,5,10-13H2,2-3H3

InChI Key

RFXCKRVFOHSQNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.816

Distribution Coefficient, logD

3.816

Water Solubility, LogSw

-3.83

Polar Surface Area

27.613

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.40

D161-1265 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D161-1265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D161-1265?
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What is the minimum amount of D161-1265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D161-1265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D161-1265
  • 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 D161-1265 available by request