L690-0536 Screening compound: 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one

L690-0536 Screening compound: 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one
L690-0536 Screening compound: 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L690-0536
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-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

L690-0536

Molecular Formula

C27H24N6O4 (C27 H24 N6 O4)

Compound Name

3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

3-[(3-cyclopropyl-124-oxadiazol-5-yl)methyl]-5-[2-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-2-oxoethyl]-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

Cc(cc1)cc2c1OCCN2C(Cn(c1c2cccc1)c1c2N=CN(Cc2nc(C3CC3)no2)C1=O)=O

InChI

InChI=1S/C27H24N6O4/c1-16-6-9-21-20(12-16)32(10-11-36-21)23(34)14-33-19-5-3-2-4-18(19)24-25(33)27(35)31(15-28-24)13-22-29-26(30-37-22)17-7-8-17/h2-6,9,12,15,17H,7-8,10-11,13-14H2,1H3

InChI Key

YSGHVXPVIFITNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22590575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.391

Distribution Coefficient, logD

3.391

Water Solubility, LogSw

-3.71

Polar Surface Area

79.803

Acid Dissociation Constant (pKa)

19.98

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

L690-0536 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L690-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L690-0536?
Check Price and Availability of L690-0536, 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 L690-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L690-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L690-0536
  • 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 L690-0536 available by request