8009-2778 Screening compound: 1,3-di-tert-butyl 2-{4-[(2-aminoethyl)amino]-6-[1,3-bis(tert-butoxy)-2-nitro-1,3-dioxopropan-2-yl]-1,3,5-triazin-2-yl}-2-nitropropanedioate

8009-2778 Screening compound: 1,3-di-tert-butyl 2-{4-[(2-aminoethyl)amino]-6-[1,3-bis(tert-butoxy)-2-nitro-1,3-dioxopropan-2-yl]-1,3,5-triazin-2-yl}-2-nitropropanedioate
8009-2778 Screening compound: 1,3-di-tert-butyl 2-{4-[(2-aminoethyl)amino]-6-[1,3-bis(tert-butoxy)-2-nitro-1,3-dioxopropan-2-yl]-1,3,5-triazin-2-yl}-2-nitropropanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2778
1,3-di-tert-butyl 2-{4-[(2-aminoethyl)amino]-6-[1,3-bis(tert-butoxy)-2-nitro-1,3-dioxopropan-2-yl]-1,3,5-triazin-2-yl}-2-nitropropanedioate

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

8009-2778

Molecular Formula

C27H43N7O12 (C27 H43 N7 O12)

Compound Name

1,3-di-tert-butyl 2-{4-[(2-aminoethyl)amino]-6-[1,3-bis(tert-butoxy)-2-nitro-1,3-dioxopropan-2-yl]-1,3,5-triazin-2-yl}-2-nitropropanedioate

IUPAC name

13-di-tert-butyl 2-{4-[(2-aminoethyl)amino]-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(NCCN)n1)[N+]([O-])=O)=O

InChI

InChI=1S/C27H43N7O12/c1-22(2,3)43-17(35)26(33(39)40,18(36)44-23(4,5)6)15-30-16(32-21(31-15)29-14-13-28)27(34(41)42,19(37)45-24(7,8)9)20(38)46-25(10,11)12/h13-14,28H2,1-12H3,(H,29,30,31,32)

InChI Key

QLHASVLNRZOIIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

657.68

Hydrogen Bond Acceptors Count

24.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

19

Partition Coefficient, logP

4.513

Distribution Coefficient, logD

2.402

Water Solubility, LogSw

-4.39

Polar Surface Area

208.070

Acid Dissociation Constant (pKa)

18.26

Base Dissociation Constant (pKb)

9.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

74.10

References: we are preparing a list of scientific research reports with 8009-2778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2778?
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What is the minimum amount of 8009-2778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2778
  • 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 8009-2778 available by request