8009-2780 Screening compound: di(tert-butyl) 2-{4-[2-(tert-butoxy)-1-(tert-butoxycarbonyl)-1-nitro-2-oxoethyl]-6-[2-(tert-butoxy)-1-(tert-butoxycarbonyl)-2-oxoethyl]-1,3,5-triazin-2-yl}-2-nitromalonate

8009-2780 Screening compound: di(tert-butyl) 2-{4-[2-(tert-butoxy)-1-(tert-butoxycarbonyl)-1-nitro-2-oxoethyl]-6-[2-(tert-butoxy)-1-(tert-butoxycarbonyl)-2-oxoethyl]-1,3,5-triazin-2-yl}-2-nitromalonate
8009-2780 Screening compound: di(tert-butyl) 2-{4-[2-(tert-butoxy)-1-(tert-butoxycarbonyl)-1-nitro-2-oxoethyl]-6-[2-(tert-butoxy)-1-(tert-butoxycarbonyl)-2-oxoethyl]-1,3,5-triazin-2-yl}-2-nitromalonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2780
di(tert-butyl) 2-{4-[2-(tert-butoxy)-1-(tert-butoxycarbonyl)-1-nitro-2-oxoethyl]-6-[2-(tert-butoxy)-1-(tert-butoxycarbonyl)-2-oxoethyl]-1,3,5-triazin-2-yl}-2-nitromalonate

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

8009-2780

Molecular Formula

C36H55N5O16 (C36 H55 N5 O16)

Compound Name

di(tert-butyl) 2-{4-[2-(tert-butoxy)-1-(tert-butoxycarbonyl)-1-nitro-2-oxoethyl]-6-[2-(tert-butoxy)-1-(tert-butoxycarbonyl)-2-oxoethyl]-1,3,5-triazin-2-yl}-2-nitromalonate

IUPAC name

13-di-tert-butyl 2-{4-[13-bis(tert-butoxy)-13-dioxopropan-2-yl]-6-[13-bis(tert-butoxy)-2-nitro-13-dioxopropan-2-yl]-135-triazin-2-yl}-2-nitropropanedioate

SMILES

CC(C)(C)OC(C(C(OC(C)(C)C)=O)c1nc(C(C(OC(C)(C)C)=O)(C(OC(C)(C)C)=O)[N+]([O-])=O)nc(C(C(OC(C)(C)C)=O)(C(OC(C)(C)C)=O)[N+]([O-])=O)n1)=O

InChI

InChI=1S/C36H55N5O16/c1-29(2,3)52-21(42)19(22(43)53-30(4,5)6)20-37-23(35(40(48)49,25(44)54-31(7,8)9)26(45)55-32(10,11)12)39-24(38-20)36(41(50)51,27(46)56-33(13,14)15)28(47)57-34(16,17)18/h19H,1-18H3

InChI Key

YNMFBRCADCCVMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

813.86

Hydrogen Bond Acceptors Count

29.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

23.00

Number of Nitrogen and Oxygen Atoms

21

Partition Coefficient, logP

7.938

Distribution Coefficient, logD

7.938

Water Solubility, LogSw

-5.74

Polar Surface Area

215.159

Acid Dissociation Constant (pKa)

17.05

Base Dissociation Constant (pKb)

-14.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

8009-2780 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 8009-2780 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8009-2780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2780
  • 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 8009-2780 available by request