H025-1012C Screening compound: 3-(2-{6-benzyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-2-yl}ethyl)-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one

H025-1012C Screening compound: 3-(2-{6-benzyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-2-yl}ethyl)-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
H025-1012C Screening compound: 3-(2-{6-benzyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-2-yl}ethyl)-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-1012C
3-(2-{6-benzyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-2-yl}ethyl)-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-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

H025-1012C

Molecular Formula

C31H32N4O (C31 H32 N4 O)

Compound Name

3-(2-{6-benzyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-2-yl}ethyl)-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one

IUPAC name

3-(2-{6-benzyl-1H2H3H4H5H6H-azepino[43-b]indol-2-yl}ethyl)-29-dimethyl-4H-pyrido[12-a]pyrimidin-4-one

SMILES

CC(C1=NC(C)=C2CCN(CCC3)Cc4c3n(Cc3ccccc3)c3c4cccc3)=CC=CN1C2=O

InChI

InChI=1S/C31H32N4O/c1-22-10-8-18-34-30(22)32-23(2)25(31(34)36)16-19-33-17-9-15-29-27(21-33)26-13-6-7-14-28(26)35(29)20-24-11-4-3-5-12-24/h3-8,10-14,18H,9,15-17,19-21H2,1-2H3

InChI Key

NZGCYKNKWJXHLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214682

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

476.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.885

Distribution Coefficient, logD

1.202

Water Solubility, LogSw

-4.77

Polar Surface Area

29.046

Acid Dissociation Constant (pKa)

26.83

Base Dissociation Constant (pKb)

11.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

H025-1012C in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with H025-1012C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-1012C?
Check Price and Availability of H025-1012C, 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 H025-1012C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-1012C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-1012C
  • 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 H025-1012C available by request