1552-0042 Screening compound: 2-oxo-2-phenylethyl 6-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]hexanoate

1552-0042 Screening compound: 2-oxo-2-phenylethyl 6-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]hexanoate
1552-0042 Screening compound: 2-oxo-2-phenylethyl 6-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1552-0042
2-oxo-2-phenylethyl 6-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]hexanoate

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

1552-0042

Molecular Formula

C32H29NO5 (C32 H29 NO5)

Compound Name

2-oxo-2-phenylethyl 6-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]hexanoate

IUPAC name

2-oxo-2-phenylethyl 6-{1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaen-17-yl}hexanoate

SMILES

O=C(COC(CCCCCN(C(C(C1C2c3c4cccc3)C4c3c2cccc3)=O)C1=O)=O)c1ccccc1

InChI

InChI=1S/C32H29NO5/c34-25(20-11-3-1-4-12-20)19-38-26(35)17-5-2-10-18-33-31(36)29-27-21-13-6-7-14-22(21)28(30(29)32(33)37)24-16-9-8-15-23(24)27/h1,3-4,6-9,11-16,27-30H,2,5,10,17-19H2

InChI Key

BVLCAUZJXAIOQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01079764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.303

Distribution Coefficient, logD

4.303

Water Solubility, LogSw

-4.40

Polar Surface Area

62.821

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-7.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 1552-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1552-0042?
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What is the minimum amount of 1552-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1552-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1552-0042
  • 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 1552-0042 available by request