Y042-6628 Screening compound: [4-(1H-1,3-benzimidazol-2-yl)piperidino][3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]methanone

Y042-6628 Screening compound: [4-(1H-1,3-benzimidazol-2-yl)piperidino][3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]methanone
Y042-6628 Screening compound: [4-(1H-1,3-benzimidazol-2-yl)piperidino][3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-6628
[4-(1H-1,3-benzimidazol-2-yl)piperidino][3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]methanone

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

Y042-6628

Molecular Formula

C24H23N5O2 (C24 H23 N5 O2)

Compound Name

[4-(1H-1,3-benzimidazol-2-yl)piperidino][3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]methanone

IUPAC name

2-{1-[3-(23-dihydro-1-benzofuran-5-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-1H-13-benzodiazole

SMILES

O=C(c1cc(-c(cc2)cc3c2OCC3)n[nH]1)N(CC1)CCC1c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C24H23N5O2/c30-24(21-14-20(27-28-21)16-5-6-22-17(13-16)9-12-31-22)29-10-7-15(8-11-29)23-25-18-3-1-2-4-19(18)26-23/h1-6,13-15H,7-12H2,(H,25,26)(H,27,28)

InChI Key

SVIYARKAMBJORV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28057563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.819

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-4.15

Polar Surface Area

66.634

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.17

Y042-6628 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-6628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-6628?
Check Price and Availability of Y042-6628, 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 Y042-6628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-6628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-6628
  • 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 Y042-6628 available by request