M385-0556 Screening compound: 4-allyl-N~6~-(2,3-dimethoxybenzyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

M385-0556 Screening compound: 4-allyl-N~6~-(2,3-dimethoxybenzyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
M385-0556 Screening compound: 4-allyl-N~6~-(2,3-dimethoxybenzyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M385-0556
4-allyl-N~6~-(2,3-dimethoxybenzyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

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

M385-0556

Molecular Formula

C22H26N2O4 (C22 H26 N2 O4)

Compound Name

4-allyl-N~6~-(2,3-dimethoxybenzyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

IUPAC name

n/a

SMILES

CC1N(CC=C)c(cc(cc2)C(NCc(cccc3OC)c3OC)=O)c2OC1

InChI

InChI=1S/C22H26N2O4/c1-5-11-24-15(2)14-28-19-10-9-16(12-18(19)24)22(25)23-13-17-7-6-8-20(26-3)21(17)27-4/h5-10,12,15H,1,11,13-14H2,2-4H3,(H,23,25)/t15-/m0/s1

InChI Key

BTRHVYGXKZXIBP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15141631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.650

Distribution Coefficient, logD

3.650

Water Solubility, LogSw

-3.97

Polar Surface Area

50.366

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

M385-0556 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M385-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M385-0556?
Check Price and Availability of M385-0556, 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 M385-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M385-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M385-0556
  • 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 M385-0556 available by request