8009-7695 Screening compound: methyl 2,6-bis(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)hexanoate

8009-7695 Screening compound: methyl 2,6-bis(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)hexanoate
8009-7695 Screening compound: methyl 2,6-bis(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7695
methyl 2,6-bis(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-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

8009-7695

Molecular Formula

C25H28Br4N2O6 (C25 H28 Br4 N2 O6)

Compound Name

methyl 2,6-bis(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)hexanoate

IUPAC name

methyl 26-bis({89-dibromo-35-dioxo-4-azatricyclo[5.2.1.0^{26}]decan-4-yl})hexanoate

SMILES

COC(C(CCCCN(C(C(C(C1)C2Br)C3C1C2Br)=O)C3=O)N(C(C(C(C1)C2Br)C3C1C2Br)=O)C3=O)=O

InChI

InChI=1S/C25H28Br4N2O6/c1-37-25(36)12(31-23(34)15-10-7-11(16(15)24(31)35)20(29)19(10)28)4-2-3-5-30-21(32)13-8-6-9(14(13)22(30)33)18(27)17(8)26/h8-20H,2-7H2,1H3

InChI Key

LANQVKCPEZBYOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01122750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

772.12

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.675

Distribution Coefficient, logD

2.675

Water Solubility, LogSw

-2.58

Polar Surface Area

80.783

Acid Dissociation Constant (pKa)

19.28

Base Dissociation Constant (pKb)

-5.20

Number of Chiral Centers

13.00

Percent sp3 carbon bonding

80.00

References: we are preparing a list of scientific research reports with 8009-7695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7695?
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What is the minimum amount of 8009-7695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7695
  • 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 8009-7695 available by request