8017-7843 Screening compound: N-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)-1,2,5-oxadiazol-3-yl]-N'-phenylurea

8017-7843 Screening compound: N-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)-1,2,5-oxadiazol-3-yl]-N'-phenylurea
8017-7843 Screening compound: N-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)-1,2,5-oxadiazol-3-yl]-N'-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7843
N-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)-1,2,5-oxadiazol-3-yl]-N'-phenylurea

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

8017-7843

Molecular Formula

C17H17N5O4 (C17 H17 N5 O4)

Compound Name

N-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)-1,2,5-oxadiazol-3-yl]-N'-phenylurea

IUPAC name

3-[4-(13-dioxo-octahydro-1H-isoindol-2-yl)-125-oxadiazol-3-yl]-1-phenylurea

SMILES

O=C(Nc1nonc1N(C(C1C2CCCC1)=O)C2=O)Nc1ccccc1

InChI

InChI=1S/C17H17N5O4/c23-15-11-8-4-5-9-12(11)16(24)22(15)14-13(20-26-21-14)19-17(25)18-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H2,18,19,20,25)

InChI Key

HBWJUFOHYPPAQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.617

Distribution Coefficient, logD

0.181

Water Solubility, LogSw

-3.11

Polar Surface Area

97.566

Acid Dissociation Constant (pKa)

4.97

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.29

8017-7843 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-7843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7843?
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What is the minimum amount of 8017-7843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7843
  • 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 8017-7843 available by request