8017-6620 Screening compound: ethyl 4-[5-(4-chlorophenyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-en-10-yl]benzoate

8017-6620 Screening compound: ethyl 4-[5-(4-chlorophenyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-en-10-yl]benzoate
8017-6620 Screening compound: ethyl 4-[5-(4-chlorophenyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-en-10-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6620
ethyl 4-[5-(4-chlorophenyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-en-10-yl]benzoate

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

8017-6620

Molecular Formula

C25H21ClN2O5 (C25 H21 ClN2 O5)

Compound Name

ethyl 4-[5-(4-chlorophenyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-en-10-yl]benzoate

IUPAC name

n/a

SMILES

CCOC(c(cc1)ccc1N(C(C(C(C1)C23)C4C1C3ON=C2c(cc1)ccc1Cl)=O)C4=O)=O

InChI

InChI=1S/C25H21ClN2O5/c1-2-32-25(31)13-5-9-15(10-6-13)28-23(29)18-16-11-17(19(18)24(28)30)22-20(16)21(27-33-22)12-3-7-14(26)8-4-12/h3-10,16-20,22H,2,11H2,1H3

InChI Key

XQYBPCQHQHENLL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.117

Distribution Coefficient, logD

4.117

Water Solubility, LogSw

-4.46

Polar Surface Area

73.018

Acid Dissociation Constant (pKa)

16.36

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with 8017-6620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6620?
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What is the minimum amount of 8017-6620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6620
  • 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 8017-6620 available by request