8013-2075 Screening compound: 3-hydroxy-4-(4-methoxybenzoyl)-1-oxa-7,9-diazaspiro[4.5]dec-3-ene-2,6,8,10-tetrone

8013-2075 Screening compound: 3-hydroxy-4-(4-methoxybenzoyl)-1-oxa-7,9-diazaspiro[4.5]dec-3-ene-2,6,8,10-tetrone
8013-2075 Screening compound: 3-hydroxy-4-(4-methoxybenzoyl)-1-oxa-7,9-diazaspiro[4.5]dec-3-ene-2,6,8,10-tetrone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2075
3-hydroxy-4-(4-methoxybenzoyl)-1-oxa-7,9-diazaspiro[4.5]dec-3-ene-2,6,8,10-tetrone

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

8013-2075

Molecular Formula

C15H10N2O8 (C15 H10 N2 O8)

Compound Name

3-hydroxy-4-(4-methoxybenzoyl)-1-oxa-7,9-diazaspiro[4.5]dec-3-ene-2,6,8,10-tetrone

IUPAC name

3-hydroxy-4-(4-methoxybenzoyl)-1-oxa-79-diazaspiro[4.5]dec-3-ene-26810-tetrone

SMILES

COc(cc1)ccc1C(C(C(C(NC(N1)=O)=O)(C1=O)OC1=O)=C1O)=O

InChI

InChI=1S/C15H10N2O8/c1-24-7-4-2-6(3-5-7)9(18)8-10(19)11(20)25-15(8)12(21)16-14(23)17-13(15)22/h2-5,19H,1H3,(H2,16,17,21,22,23)

InChI Key

FKLWLYGBVMIKFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.25

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.473

Distribution Coefficient, logD

-0.679

Water Solubility, LogSw

-2.04

Polar Surface Area

120.862

Acid Dissociation Constant (pKa)

7.62

Base Dissociation Constant (pKb)

-11.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 8013-2075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2075?
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What is the minimum amount of 8013-2075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2075
  • 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 8013-2075 available by request