6313-0059 Screening compound: N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

6313-0059 Screening compound: N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide
6313-0059 Screening compound: N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6313-0059
N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)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

6313-0059

Molecular Formula

C18H13N3O5 (C18 H13 N3 O5)

Compound Name

N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

IUPAC name

N-(2-methyl-13-dioxo-23-dihydro-1H-isoindol-5-yl)-2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)acetamide

SMILES

CN(C(c(cc1)c2cc1NC(CN(c(cccc1)c1O1)C1=O)=O)=O)C2=O

InChI

InChI=1S/C18H13N3O5/c1-20-16(23)11-7-6-10(8-12(11)17(20)24)19-15(22)9-21-13-4-2-3-5-14(13)26-18(21)25/h2-8H,9H2,1H3,(H,19,22)

InChI Key

HAWPOOIEDMCSDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04215245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.127

Distribution Coefficient, logD

2.126

Water Solubility, LogSw

-3.23

Polar Surface Area

75.506

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

6313-0059 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6313-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6313-0059?
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What is the minimum amount of 6313-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6313-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6313-0059
  • 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 6313-0059 available by request