H025-0047 Screening compound: tert-butyl 9-methyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole-2-carboxylate

H025-0047 Screening compound: tert-butyl 9-methyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole-2-carboxylate
H025-0047 Screening compound: tert-butyl 9-methyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0047
tert-butyl 9-methyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole-2-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

H025-0047

Molecular Formula

C18H24N2O2 (C18 H24 N2 O2)

Compound Name

tert-butyl 9-methyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole-2-carboxylate

IUPAC name

tert-butyl 9-methyl-1H2H3H4H5H6H-azepino[43-b]indole-2-carboxylate

SMILES

CC(C)(C)OC(N(CCC1)Cc2c1[nH]c1c2cc(C)cc1)=O

InChI

InChI=1S/C18H24N2O2/c1-12-7-8-16-13(10-12)14-11-20(9-5-6-15(14)19-16)17(21)22-18(2,3)4/h7-8,10,19H,5-6,9,11H2,1-4H3

InChI Key

FELJMVUJNLJNNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.003

Distribution Coefficient, logD

4.003

Water Solubility, LogSw

-4.17

Polar Surface Area

33.163

Acid Dissociation Constant (pKa)

19.00

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

H025-0047 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with H025-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0047?
Check Price and Availability of H025-0047, 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 H025-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0047
  • 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 H025-0047 available by request