8004-9619 Screening compound: 17-(3-bromophenyl)-1-(dimethoxymethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

8004-9619 Screening compound: 17-(3-bromophenyl)-1-(dimethoxymethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
8004-9619 Screening compound: 17-(3-bromophenyl)-1-(dimethoxymethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9619
17-(3-bromophenyl)-1-(dimethoxymethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-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

8004-9619

Molecular Formula

C27H22BrNO4 (C27 H22 BrNO4)

Compound Name

17-(3-bromophenyl)-1-(dimethoxymethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

IUPAC name

17-(3-bromophenyl)-1-(dimethoxymethyl)-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaene-1618-dione

SMILES

COC(C(C(C(C12)C(N3c4cccc(Br)c4)=O)C3=O)(c3c2cccc3)c2c1cccc2)OC

InChI

InChI=1S/C27H22BrNO4/c1-32-26(33-2)27-19-12-5-3-10-17(19)21(18-11-4-6-13-20(18)27)22-23(27)25(31)29(24(22)30)16-9-7-8-15(28)14-16/h3-14,21-23,26H,1-2H3

InChI Key

UOSMXVNYNTUYBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00684478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.969

Distribution Coefficient, logD

3.969

Water Solubility, LogSw

-4.30

Polar Surface Area

44.150

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-7.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 8004-9619 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8004-9619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9619
  • 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 8004-9619 available by request