8008-6716 Screening compound: 2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]phenyl octanoate

8008-6716 Screening compound: 2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]phenyl octanoate
8008-6716 Screening compound: 2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]phenyl octanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6716
2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]phenyl octanoate

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

8008-6716

Molecular Formula

C32H31NO4 (C32 H31 NO4)

Compound Name

2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]phenyl octanoate

IUPAC name

2-{1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2469(14)1012-hexaen-17-yl}phenyl octanoate

SMILES

CCCCCCCC(Oc(cccc1)c1N(C(C(C1C2c3c4cccc3)C4c3c2cccc3)=O)C1=O)=O

InChI

InChI=1S/C32H31NO4/c1-2-3-4-5-6-19-26(34)37-25-18-12-11-17-24(25)33-31(35)29-27-20-13-7-8-14-21(20)28(30(29)32(33)36)23-16-10-9-15-22(23)27/h7-18,27-30H,2-6,19H2,1H3

InChI Key

QDIGAFPYTPRXCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01174403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.107

Distribution Coefficient, logD

6.107

Water Solubility, LogSw

-5.44

Polar Surface Area

48.290

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-8.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.40

8008-6716 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8008-6716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6716?
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What is the minimum amount of 8008-6716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6716
  • 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 8008-6716 available by request