H025-3127C Screening compound: 3-{2-[9-fluoro-6-(4-fluorophenyl)-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

H025-3127C Screening compound: 3-{2-[9-fluoro-6-(4-fluorophenyl)-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
H025-3127C Screening compound: 3-{2-[9-fluoro-6-(4-fluorophenyl)-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 H025-3127C
3-{2-[9-fluoro-6-(4-fluorophenyl)-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

H025-3127C

Molecular Formula

C30H28F2N4O (C30 H28 F2 N4 O)

Compound Name

3-{2-[9-fluoro-6-(4-fluorophenyl)-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-[9-fluoro-6-(4-fluorophenyl)-1H2H3H4H5H6H-azepino[43-b]indol-2-yl]ethyl}-29-dimethyl-4H-pyrido[12-a]pyrimidin-4-one

SMILES

CC(C1=NC(C)=C2CCN(CCC3)Cc(c4c5ccc(F)c4)c3n5-c(cc3)ccc3F)=CC=CN1C2=O

InChI

InChI=1S/C30H28F2N4O/c1-19-5-3-15-35-29(19)33-20(2)24(30(35)37)13-16-34-14-4-6-27-26(18-34)25-17-22(32)9-12-28(25)36(27)23-10-7-21(31)8-11-23/h3,5,7-12,15,17H,4,6,13-14,16,18H2,1-2H3

InChI Key

RRVOFYHSMRVZMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214703

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.937

Distribution Coefficient, logD

3.125

Water Solubility, LogSw

-4.80

Polar Surface Area

29.789

Acid Dissociation Constant (pKa)

26.67

Base Dissociation Constant (pKb)

9.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

H025-3127C in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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

DGK Inhibitors Library (10558 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with H025-3127C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-3127C?
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What is the minimum amount of H025-3127C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-3127C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-3127C
  • 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 H025-3127C available by request