G780-0028 Screening compound: methyl 1-[cyclohexyl(methyl)amino]isoquinoline-4-carboxylate

G780-0028 Screening compound: methyl 1-[cyclohexyl(methyl)amino]isoquinoline-4-carboxylate
G780-0028 Screening compound: methyl 1-[cyclohexyl(methyl)amino]isoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G780-0028
methyl 1-[cyclohexyl(methyl)amino]isoquinoline-4-carboxylate

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

G780-0028

Molecular Formula

C18H22N2O2 (C18 H22 N2 O2)

Compound Name

methyl 1-[cyclohexyl(methyl)amino]isoquinoline-4-carboxylate

IUPAC name

methyl 1-[cyclohexyl(methyl)amino]isoquinoline-4-carboxylate

SMILES

CN(C1CCCCC1)c1ncc(C(OC)=O)c2ccccc12

InChI

InChI=1S/C18H22N2O2/c1-20(13-8-4-3-5-9-13)17-15-11-7-6-10-14(15)16(12-19-17)18(21)22-2/h6-7,10-13H,3-5,8-9H2,1-2H3

InChI Key

MUMRWXUMONOZFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15035519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.214

Distribution Coefficient, logD

4.214

Water Solubility, LogSw

-4.22

Polar Surface Area

32.217

Acid Dissociation Constant (pKa)

22.17

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G780-0028 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

BRD4 Targeted Library (4534 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with G780-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G780-0028?
Check Price and Availability of G780-0028, 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 G780-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G780-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G780-0028
  • 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 G780-0028 available by request