L690-0246 Screening compound: 2-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-[4-(propan-2-yl)phenyl]acetamide

L690-0246 Screening compound: 2-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-[4-(propan-2-yl)phenyl]acetamide
L690-0246 Screening compound: 2-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-[4-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L690-0246
2-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-[4-(propan-2-yl)phenyl]acetamide

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

L690-0246

Molecular Formula

C26H26N6O3 (C26 H26 N6 O3)

Compound Name

2-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-[4-(propan-2-yl)phenyl]acetamide

IUPAC name

2-{3-[(3-ethyl-124-oxadiazol-5-yl)methyl]-4-oxo-3H4H5H-pyrimido[54-b]indol-5-yl}-N-[4-(propan-2-yl)phenyl]acetamide

SMILES

CCc1noc(CN(C=Nc2c3n(CC(Nc4ccc(C(C)C)cc4)=O)c4c2cccc4)C3=O)n1

InChI

InChI=1S/C26H26N6O3/c1-4-21-29-23(35-30-21)14-31-15-27-24-19-7-5-6-8-20(19)32(25(24)26(31)34)13-22(33)28-18-11-9-17(10-12-18)16(2)3/h5-12,15-16H,4,13-14H2,1-3H3,(H,28,33)

InChI Key

RPWGOAGMOKRIRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.480

Distribution Coefficient, logD

4.480

Water Solubility, LogSw

-4.23

Polar Surface Area

80.683

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

L690-0246 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with L690-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L690-0246?
Check Price and Availability of L690-0246, 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 L690-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L690-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L690-0246
  • 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 L690-0246 available by request