6030-1708 Screening compound: 1-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)-1,2,3,4,5-pentanepentaol

6030-1708 Screening compound: 1-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)-1,2,3,4,5-pentanepentaol
6030-1708 Screening compound: 1-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)-1,2,3,4,5-pentanepentaol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6030-1708
1-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)-1,2,3,4,5-pentanepentaol

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

6030-1708

Molecular Formula

C15H26N4O9 (C15 H26 N4 O9)

Compound Name

1-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)-1,2,3,4,5-pentanepentaol

IUPAC name

1-{66-dimethyl-57-dinitro-13-diazatricyclo[3.3.1.1^{37}]decan-2-yl}pentane-12345-pentol

SMILES

CC(C)(C(C1)(CN(C2)C(C(C(C(C(CO)O)O)O)O)N1C1)[N+]([O-])=O)C12[N+]([O-])=O

InChI

InChI=1S/C15H26N4O9/c1-13(2)14(18(25)26)4-16-6-15(13,19(27)28)7-17(5-14)12(16)11(24)10(23)9(22)8(21)3-20/h8-12,20-24H,3-7H2,1-2H3

InChI Key

FQZUBSBSVVDWLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03675040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.39

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

-1.703

Distribution Coefficient, logD

-1.703

Water Solubility, LogSw

-0.49

Polar Surface Area

152.375

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

100.00

References: we are preparing a list of scientific research reports with 6030-1708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6030-1708?
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What is the minimum amount of 6030-1708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6030-1708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6030-1708
  • 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 6030-1708 available by request