8019-2507 Screening compound: 1-allyl-4-(1-{2-[4-(sec-butyl)phenoxy]ethyl}-1H-1,3-benzimidazol-2-yl)-2-pyrrolidinone

8019-2507 Screening compound: 1-allyl-4-(1-{2-[4-(sec-butyl)phenoxy]ethyl}-1H-1,3-benzimidazol-2-yl)-2-pyrrolidinone
8019-2507 Screening compound: 1-allyl-4-(1-{2-[4-(sec-butyl)phenoxy]ethyl}-1H-1,3-benzimidazol-2-yl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-2507
1-allyl-4-(1-{2-[4-(sec-butyl)phenoxy]ethyl}-1H-1,3-benzimidazol-2-yl)-2-pyrrolidinone

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

8019-2507

Molecular Formula

C26H31N3O2 (C26 H31 N3 O2)

Compound Name

1-allyl-4-(1-{2-[4-(sec-butyl)phenoxy]ethyl}-1H-1,3-benzimidazol-2-yl)-2-pyrrolidinone

IUPAC name

4-(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-13-benzodiazol-2-yl)-1-(prop-2-en-1-yl)pyrrolidin-2-one

SMILES

CCC(C)c(cc1)ccc1OCCn1c(cccc2)c2nc1C(C1)CN(CC=C)C1=O

InChI

InChI=1S/C26H31N3O2/c1-4-14-28-18-21(17-25(28)30)26-27-23-8-6-7-9-24(23)29(26)15-16-31-22-12-10-20(11-13-22)19(3)5-2/h4,6-13,19,21H,1,5,14-18H2,2-3H3

InChI Key

FQOLFFWWMQNTQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07789539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.702

Distribution Coefficient, logD

5.702

Water Solubility, LogSw

-5.45

Polar Surface Area

34.737

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.46

8019-2507 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 8019-2507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-2507?
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What is the minimum amount of 8019-2507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-2507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-2507
  • 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 8019-2507 available by request