M770-0131 Screening compound: 3-({3-[(3-ETHYL-1,2,4-OXADIAZOL-5-YL)METHYL]-8-METHOXY-4-OXO-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-5-YL}METHYL)BENZONITRILE

M770-0131 Screening compound: 3-({3-[(3-ETHYL-1,2,4-OXADIAZOL-5-YL)METHYL]-8-METHOXY-4-OXO-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-5-YL}METHYL)BENZONITRILE
M770-0131 Screening compound: 3-({3-[(3-ETHYL-1,2,4-OXADIAZOL-5-YL)METHYL]-8-METHOXY-4-OXO-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-5-YL}METHYL)BENZONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound M770-0131
3-({3-[(3-ETHYL-1,2,4-OXADIAZOL-5-YL)METHYL]-8-METHOXY-4-OXO-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-5-YL}METHYL)BENZONITRILE

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

M770-0131

Molecular Formula

C24H20N6O3 (C24 H20 N6 O3)

Compound Name

3-({3-[(3-ETHYL-1,2,4-OXADIAZOL-5-YL)METHYL]-8-METHOXY-4-OXO-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-5-YL}METHYL)BENZONITRILE

IUPAC name

n/a

SMILES

CCc1noc(CN(C=Nc2c3n(Cc4cc(C#N)ccc4)c(cc4)c2cc4OC)C3=O)n1

InChI

InChI=1S/C24H20N6O3/c1-3-20-27-21(33-28-20)13-29-14-26-22-18-10-17(32-2)7-8-19(18)30(23(22)24(29)31)12-16-6-4-5-15(9-16)11-25/h4-10,14H,3,12-13H2,1-2H3

InChI Key

IZKOQFCDTWRFOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27553656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.269

Distribution Coefficient, logD

3.269

Water Solubility, LogSw

-3.42

Polar Surface Area

82.133

Acid Dissociation Constant (pKa)

25.73

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

M770-0131 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M770-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M770-0131?
Check Price and Availability of M770-0131, 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 M770-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M770-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M770-0131
  • 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 M770-0131 available by request