8008-6763 Screening compound: N~1~-[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]-2-fluorobenzamide

8008-6763 Screening compound: N~1~-[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]-2-fluorobenzamide
8008-6763 Screening compound: N~1~-[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]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6763
N~1~-[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]-2-fluorobenzamide

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

8008-6763

Molecular Formula

C25H17FN2O3 (C25 H17 FN2 O3)

Compound Name

N~1~-[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]-2-fluorobenzamide

IUPAC name

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

SMILES

O=C(c(cccc1)c1F)NN(C(C(C1C2c3c4cccc3)C4c3c2cccc3)=O)C1=O

InChI

InChI=1S/C25H17FN2O3/c26-18-12-6-5-11-17(18)23(29)27-28-24(30)21-19-13-7-1-2-8-14(13)20(22(21)25(28)31)16-10-4-3-9-15(16)19/h1-12,19-22H,(H,27,29)

InChI Key

CCHBPDYHEKCDOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01187948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.653

Distribution Coefficient, logD

1.411

Water Solubility, LogSw

-3.35

Polar Surface Area

55.462

Acid Dissociation Constant (pKa)

6.18

Base Dissociation Constant (pKb)

-6.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.00

8008-6763 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8008-6763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6763?
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What is the minimum amount of 8008-6763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6763
  • 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 8008-6763 available by request