8010-5287 Screening compound: methyl 5-[4-(5-methoxy-2,2-dinitro-5-oxopentyl)piperazin-1-yl]-4,4-dinitropentanoate

8010-5287 Screening compound: methyl 5-[4-(5-methoxy-2,2-dinitro-5-oxopentyl)piperazin-1-yl]-4,4-dinitropentanoate
8010-5287 Screening compound: methyl 5-[4-(5-methoxy-2,2-dinitro-5-oxopentyl)piperazin-1-yl]-4,4-dinitropentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5287
methyl 5-[4-(5-methoxy-2,2-dinitro-5-oxopentyl)piperazin-1-yl]-4,4-dinitropentanoate

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

8010-5287

Molecular Formula

C16H26N6O12 (C16 H26 N6 O12)

Compound Name

methyl 5-[4-(5-methoxy-2,2-dinitro-5-oxopentyl)piperazin-1-yl]-4,4-dinitropentanoate

IUPAC name

methyl 5-[4-(5-methoxy-22-dinitro-5-oxopentyl)piperazin-1-yl]-44-dinitropentanoate

SMILES

COC(CCC(CN1CCN(CC(CCC(OC)=O)([N+]([O-])=O)[N+]([O-])=O)CC1)([N+]([O-])=O)[N+]([O-])=O)=O

InChI

InChI=1S/C16H26N6O12/c1-33-13(23)3-5-15(19(25)26,20(27)28)11-17-7-9-18(10-8-17)12-16(21(29)30,22(31)32)6-4-14(24)34-2/h3-12H2,1-2H3

InChI Key

ZALDJNRBHGAPFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00593150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.42

Hydrogen Bond Acceptors Count

24.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

18

Partition Coefficient, logP

-1.378

Distribution Coefficient, logD

-1.379

Water Solubility, LogSw

-0.16

Polar Surface Area

187.687

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

87.50

8010-5287 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8010-5287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5287?
Check Price and Availability of 8010-5287, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8010-5287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5287
  • 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 8010-5287 available by request