H027-0156 Screening compound: ethyl 2,7-dimethyl-8-[(morpholin-4-yl)methyl]-5-(pyridin-3-yl)-1H,2H,3H,7H-[1,3]oxazino[5,6-e]indole-9-carboxylate

H027-0156 Screening compound: ethyl 2,7-dimethyl-8-[(morpholin-4-yl)methyl]-5-(pyridin-3-yl)-1H,2H,3H,7H-[1,3]oxazino[5,6-e]indole-9-carboxylate
H027-0156 Screening compound: ethyl 2,7-dimethyl-8-[(morpholin-4-yl)methyl]-5-(pyridin-3-yl)-1H,2H,3H,7H-[1,3]oxazino[5,6-e]indole-9-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-0156
ethyl 2,7-dimethyl-8-[(morpholin-4-yl)methyl]-5-(pyridin-3-yl)-1H,2H,3H,7H-[1,3]oxazino[5,6-e]indole-9-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

H027-0156

Molecular Formula

C25H30N4O4 (C25 H30 N4 O4)

Compound Name

ethyl 2,7-dimethyl-8-[(morpholin-4-yl)methyl]-5-(pyridin-3-yl)-1H,2H,3H,7H-[1,3]oxazino[5,6-e]indole-9-carboxylate

IUPAC name

ethyl 27-dimethyl-8-[(morpholin-4-yl)methyl]-5-(pyridin-3-yl)-1H2H3H7H-[13]oxazino[56-e]indole-9-carboxylate

SMILES

CCOC(c1c(CN2CCOCC2)n(C)c2cc(-c3cnccc3)c3OCN(C)Cc3c12)=O

InChI

InChI=1S/C25H30N4O4/c1-4-32-25(30)23-21(15-29-8-10-31-11-9-29)28(3)20-12-18(17-6-5-7-26-13-17)24-19(22(20)23)14-27(2)16-33-24/h5-7,12-13H,4,8-11,14-16H2,1-3H3

InChI Key

KLLNRPHBLADGLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.024

Distribution Coefficient, logD

0.812

Water Solubility, LogSw

-2.64

Polar Surface Area

55.877

Acid Dissociation Constant (pKa)

28.00

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

H027-0156 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with H027-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-0156?
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What is the minimum amount of H027-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-0156
  • 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 H027-0156 available by request