8012-6827 Screening compound: 6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N~1~-(4-methoxy-1,2,5-oxadiazol-3-yl)hexanamide

8012-6827 Screening compound: 6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N~1~-(4-methoxy-1,2,5-oxadiazol-3-yl)hexanamide
8012-6827 Screening compound: 6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N~1~-(4-methoxy-1,2,5-oxadiazol-3-yl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6827
6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N~1~-(4-methoxy-1,2,5-oxadiazol-3-yl)hexanamide

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

8012-6827

Molecular Formula

C17H18N4O5 (C17 H18 N4 O5)

Compound Name

6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N~1~-(4-methoxy-1,2,5-oxadiazol-3-yl)hexanamide

IUPAC name

6-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-(4-methoxy-125-oxadiazol-3-yl)hexanamide

SMILES

COc1nonc1NC(CCCCCN(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C17H18N4O5/c1-25-15-14(19-26-20-15)18-13(22)9-3-2-6-10-21-16(23)11-7-4-5-8-12(11)17(21)24/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,18,19,22)

InChI Key

YIOUWJYZSWYJEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.202

Distribution Coefficient, logD

1.777

Water Solubility, LogSw

-3.00

Polar Surface Area

97.178

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

References: we are preparing a list of scientific research reports with 8012-6827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6827?
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What is the minimum amount of 8012-6827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6827
  • 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 8012-6827 available by request