M060-0297 Screening compound: 2-({8-fluoro-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one

M060-0297 Screening compound: 2-({8-fluoro-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one
M060-0297 Screening compound: 2-({8-fluoro-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M060-0297
2-({8-fluoro-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)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

M060-0297

Molecular Formula

C21H17FN4O2S (C21 H17 FN4 O2 S)

Compound Name

2-({8-fluoro-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one

IUPAC name

2-({8-fluoro-5H-pyrimido[54-b]indol-4-yl}sulfanyl)-1-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)ethan-1-one

SMILES

Cc(cc1)cc2c1OCCN2C(CSc1ncnc2c1[nH]c(cc1)c2cc1F)=O

InChI

InChI=1S/C21H17FN4O2S/c1-12-2-5-17-16(8-12)26(6-7-28-17)18(27)10-29-21-20-19(23-11-24-21)14-9-13(22)3-4-15(14)25-20/h2-5,8-9,11,25H,6-7,10H2,1H3

InChI Key

FLUOXBJSBOHXCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

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

3.706

Distribution Coefficient, logD

3.706

Water Solubility, LogSw

-3.98

Polar Surface Area

53.508

Acid Dissociation Constant (pKa)

17.59

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

M060-0297 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M060-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M060-0297?
Check Price and Availability of M060-0297, 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 M060-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M060-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M060-0297
  • 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 M060-0297 available by request