Y042-1874 Screening compound: 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[3-(1H-indol-3-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidine

Y042-1874 Screening compound: 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[3-(1H-indol-3-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidine
Y042-1874 Screening compound: 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[3-(1H-indol-3-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-1874
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[3-(1H-indol-3-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidine

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

Y042-1874

Molecular Formula

C25H23N5O2 (C25 H23 N5 O2)

Compound Name

7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[3-(1H-indol-3-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

3-{3-[7-(34-dihydro-2H-15-benzodioxepin-7-yl)-[124]triazolo[15-a]pyrimidin-2-yl]propyl}-1H-indole

SMILES

C(Cc1c[nH]c2c1cccc2)Cc1nn2c(-c(cc3)cc4c3OCCCO4)ccnc2n1

InChI

InChI=1S/C25H23N5O2/c1-2-7-20-19(6-1)18(16-27-20)5-3-8-24-28-25-26-12-11-21(30(25)29-24)17-9-10-22-23(15-17)32-14-4-13-31-22/h1-2,6-7,9-12,15-16,27H,3-5,8,13-14H2

InChI Key

YMCIGHFYHBKYEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29057518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.800

Distribution Coefficient, logD

3.800

Water Solubility, LogSw

-4.22

Polar Surface Area

56.957

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

Y042-1874 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-1874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-1874?
Check Price and Availability of Y042-1874, 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 Y042-1874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-1874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-1874
  • 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 Y042-1874 available by request