M060-0087 Screening compound: 1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-{5H-pyrimido[5,4-b]indol-4-ylsulfanyl}ethan-1-one

M060-0087 Screening compound: 1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-{5H-pyrimido[5,4-b]indol-4-ylsulfanyl}ethan-1-one
M060-0087 Screening compound: 1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-{5H-pyrimido[5,4-b]indol-4-ylsulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M060-0087
1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-{5H-pyrimido[5,4-b]indol-4-ylsulfanyl}ethan-1-one

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

M060-0087

Molecular Formula

C21H18N4O2S (C21 H18 N4 O2 S)

Compound Name

1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-{5H-pyrimido[5,4-b]indol-4-ylsulfanyl}ethan-1-one

IUPAC name

1-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-2-{5H-pyrimido[54-b]indol-4-ylsulfanyl}ethan-1-one

SMILES

Cc(cc1)cc2c1OCCN2C(CSc1ncnc2c1[nH]c1c2cccc1)=O

InChI

InChI=1S/C21H18N4O2S/c1-13-6-7-17-16(10-13)25(8-9-27-17)18(26)11-28-21-20-19(22-12-23-21)14-4-2-3-5-15(14)24-20/h2-7,10,12,24H,8-9,11H2,1H3

InChI Key

LFIUVWBAGFSZQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.627

Distribution Coefficient, logD

3.626

Water Solubility, LogSw

-3.99

Polar Surface Area

53.508

Acid Dissociation Constant (pKa)

17.59

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

M060-0087 in Drug Discovery

Included in Screening Libraries

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 M060-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M060-0087?
Check Price and Availability of M060-0087, 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 M060-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M060-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M060-0087
  • 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 M060-0087 available by request