H025-0075B Screening compound: tert-butyl 6-benzyl-9-methyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole-2-carboxylate

H025-0075B Screening compound: tert-butyl 6-benzyl-9-methyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole-2-carboxylate
H025-0075B Screening compound: tert-butyl 6-benzyl-9-methyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0075B
tert-butyl 6-benzyl-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

H025-0075B

Molecular Formula

C25H30N2O2 (C25 H30 N2 O2)

Compound Name

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

IUPAC name

tert-butyl 6-benzyl-9-methyl-1H2H3H4H5H6H-azepino[43-b]indole-2-carboxylate

SMILES

CC(C)(C)OC(N(CCC1)Cc2c1n(Cc1ccccc1)c1c2cc(C)cc1)=O

InChI

InChI=1S/C25H30N2O2/c1-18-12-13-23-20(15-18)21-17-26(24(28)29-25(2,3)4)14-8-11-22(21)27(23)16-19-9-6-5-7-10-19/h5-7,9-10,12-13,15H,8,11,14,16-17H2,1-4H3

InChI Key

ANUSQWWMQJQOKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.476

Distribution Coefficient, logD

6.475

Water Solubility, LogSw

-5.71

Polar Surface Area

23.498

Acid Dissociation Constant (pKa)

27.10

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with H025-0075B chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0075B?
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What is the minimum amount of H025-0075B you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0075B
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0075B
  • 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 H025-0075B available by request