M013-0549 Screening compound: N~3~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide

M013-0549 Screening compound: N~3~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide
M013-0549 Screening compound: N~3~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M013-0549
N~3~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide

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

M013-0549

Molecular Formula

C28H27N3O4 (C28 H27 N3 O4)

Compound Name

N~3~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

1-(4-methylphenyl)-5-oxo-N-[10-oxo-9-(propan-2-yl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-6-yl]pyrrolidine-3-carboxamide

SMILES

CC(C)N(c(cc(cc1)NC(C(CC2=O)CN2c2ccc(C)cc2)=O)c1Oc1c2cccc1)C2=O

InChI

InChI=1S/C28H27N3O4/c1-17(2)31-23-15-20(10-13-25(23)35-24-7-5-4-6-22(24)28(31)34)29-27(33)19-14-26(32)30(16-19)21-11-8-18(3)9-12-21/h4-13,15,17,19H,14,16H2,1-3H3,(H,29,33)/t19-/m0/s1

InChI Key

LMKLRGLIJOPZFK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27492134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.114

Distribution Coefficient, logD

4.114

Water Solubility, LogSw

-4.39

Polar Surface Area

62.398

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

M013-0549 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M013-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M013-0549?
Check Price and Availability of M013-0549, 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 M013-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M013-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M013-0549
  • 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 M013-0549 available by request