8017-6598 Screening compound: 10-(4-acetylphenyl)-5-(2-chlorophenyl)-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-9,11-dione

8017-6598 Screening compound: 10-(4-acetylphenyl)-5-(2-chlorophenyl)-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-9,11-dione
8017-6598 Screening compound: 10-(4-acetylphenyl)-5-(2-chlorophenyl)-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-9,11-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6598
10-(4-acetylphenyl)-5-(2-chlorophenyl)-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-9,11-dione

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

8017-6598

Molecular Formula

C24H19ClN2O4 (C24 H19 ClN2 O4)

Compound Name

10-(4-acetylphenyl)-5-(2-chlorophenyl)-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-9,11-dione

IUPAC name

n/a

SMILES

CC(c(cc1)ccc1N(C(C(C(C1)C23)C4C1C3ON=C2c(cccc1)c1Cl)=O)C4=O)=O

InChI

InChI=1S/C24H19ClN2O4/c1-11(28)12-6-8-13(9-7-12)27-23(29)18-15-10-16(19(18)24(27)30)22-20(15)21(26-31-22)14-4-2-3-5-17(14)25/h2-9,15-16,18-20,22H,10H2,1H3

InChI Key

OCLBEOGWDVALDN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.858

Distribution Coefficient, logD

2.858

Water Solubility, LogSw

-3.69

Polar Surface Area

66.091

Acid Dissociation Constant (pKa)

16.36

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8017-6598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6598?
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What is the minimum amount of 8017-6598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6598
  • 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 8017-6598 available by request