8013-1497 Screening compound: (2,1,3-benzoxadiazol-5-yl)methyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate

8013-1497 Screening compound: (2,1,3-benzoxadiazol-5-yl)methyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate
8013-1497 Screening compound: (2,1,3-benzoxadiazol-5-yl)methyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1497
(2,1,3-benzoxadiazol-5-yl)methyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate

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

8013-1497

Molecular Formula

C17H11N3O5 (C17 H11 N3 O5)

Compound Name

(2,1,3-benzoxadiazol-5-yl)methyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate

IUPAC name

(213-benzoxadiazol-5-yl)methyl 2-(23-dioxo-23-dihydro-1H-indol-1-yl)acetate

SMILES

O=C(CN(c(cccc1)c1C1=O)C1=O)OCc1cc2nonc2cc1

InChI

InChI=1S/C17H11N3O5/c21-15(24-9-10-5-6-12-13(7-10)19-25-18-12)8-20-14-4-2-1-3-11(14)16(22)17(20)23/h1-7H,8-9H2

InChI Key

GCQWYGJTJULOTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.29

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.316

Distribution Coefficient, logD

2.316

Water Solubility, LogSw

-3.01

Polar Surface Area

84.707

Acid Dissociation Constant (pKa)

19.29

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8013-1497 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8013-1497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1497?
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What is the minimum amount of 8013-1497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1497
  • 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 8013-1497 available by request