Y070-3002 Screening compound: (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

Y070-3002 Screening compound: (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile
Y070-3002 Screening compound: (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3002
(2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

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

Y070-3002

Molecular Formula

C25H24N6O (C25 H24 N6 O)

Compound Name

(2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]-2-(1-methyl-1H-13-benzodiazol-2-yl)prop-2-enenitrile

SMILES

Cn1c(/C(/C#N)=C/C2=C(N3CCCCCC3)N=C(C=CC=C3)N3C2=O)nc2c1cccc2

InChI

InChI=1S/C25H24N6O/c1-29-21-11-5-4-10-20(21)27-23(29)18(17-26)16-19-24(30-13-7-2-3-8-14-30)28-22-12-6-9-15-31(22)25(19)32/h4-6,9-12,15-16H,2-3,7-8,13-14H2,1H3

InChI Key

IHMSOVFRXUVYIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03670000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.813

Distribution Coefficient, logD

3.813

Water Solubility, LogSw

-3.94

Polar Surface Area

57.158

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

Y070-3002 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 Y070-3002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3002?
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What is the minimum amount of Y070-3002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3002
  • 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 Y070-3002 available by request