M400-0337 Screening compound: 4-(1-methyl-1H-indazole-3-carbonyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

M400-0337 Screening compound: 4-(1-methyl-1H-indazole-3-carbonyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
M400-0337 Screening compound: 4-(1-methyl-1H-indazole-3-carbonyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound M400-0337
4-(1-methyl-1H-indazole-3-carbonyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

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

M400-0337

Molecular Formula

C23H24N4O3 (C23 H24 N4 O3)

Compound Name

4-(1-methyl-1H-indazole-3-carbonyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

4-(1-methyl-1H-indazole-3-carbonyl)-7-(pyrrolidine-1-carbonyl)-2345-tetrahydro-14-benzoxazepine

SMILES

Cn1nc(C(N2Cc(cc(cc3)C(N4CCCC4)=O)c3OCC2)=O)c2c1cccc2

InChI

InChI=1S/C23H24N4O3/c1-25-19-7-3-2-6-18(19)21(24-25)23(29)27-12-13-30-20-9-8-16(14-17(20)15-27)22(28)26-10-4-5-11-26/h2-3,6-9,14H,4-5,10-13,15H2,1H3

InChI Key

JRBBKWUBVJYASA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.228

Distribution Coefficient, logD

2.228

Water Solubility, LogSw

-2.83

Polar Surface Area

56.381

Acid Dissociation Constant (pKa)

27.66

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

M400-0337 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M400-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M400-0337?
Check Price and Availability of M400-0337, 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 M400-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M400-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M400-0337
  • 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 M400-0337 available by request