8009-0168 Screening compound: 2-(4-methoxyphenyl)-2-oxoethyl 2-[1,8-dibromo-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]acetate

8009-0168 Screening compound: 2-(4-methoxyphenyl)-2-oxoethyl 2-[1,8-dibromo-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]acetate
8009-0168 Screening compound: 2-(4-methoxyphenyl)-2-oxoethyl 2-[1,8-dibromo-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]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0168
2-(4-methoxyphenyl)-2-oxoethyl 2-[1,8-dibromo-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]acetate

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

8009-0168

Molecular Formula

C29H21Br2NO6 (C29 H21 Br2 NO6)

Compound Name

2-(4-methoxyphenyl)-2-oxoethyl 2-[1,8-dibromo-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]acetate

IUPAC name

2-(4-methoxyphenyl)-2-oxoethyl 2-{18-dibromo-1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2469(14)1012-hexaen-17-yl}acetate

SMILES

COc(cc1)ccc1C(COC(CN(C(C(C1C(c2c3cccc2)(c2c4cccc2)Br)C34Br)=O)C1=O)=O)=O

InChI

InChI=1S/C29H21Br2NO6/c1-37-17-12-10-16(11-13-17)22(33)15-38-23(34)14-32-26(35)24-25(27(32)36)29(31)19-7-3-2-6-18(19)28(24,30)20-8-4-5-9-21(20)29/h2-13,24-25H,14-15H2,1H3

InChI Key

IXFWYROAVGFDMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01362210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

639.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.618

Distribution Coefficient, logD

4.618

Water Solubility, LogSw

-4.47

Polar Surface Area

70.386

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

-11.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with 8009-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0168?
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What is the minimum amount of 8009-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0168
  • 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 8009-0168 available by request