8007-9336 Screening compound: (4-{[(3,5-dinitrobenzoyl)oxy]methyl}-1,2,5-oxadiazol-3-yl)methyl 3,5-dinitrobenzoate

8007-9336 Screening compound: (4-{[(3,5-dinitrobenzoyl)oxy]methyl}-1,2,5-oxadiazol-3-yl)methyl 3,5-dinitrobenzoate
8007-9336 Screening compound: (4-{[(3,5-dinitrobenzoyl)oxy]methyl}-1,2,5-oxadiazol-3-yl)methyl 3,5-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-9336
(4-{[(3,5-dinitrobenzoyl)oxy]methyl}-1,2,5-oxadiazol-3-yl)methyl 3,5-dinitrobenzoate

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

8007-9336

Molecular Formula

C18H10N6O13 (C18 H10 N6 O13)

Compound Name

(4-{[(3,5-dinitrobenzoyl)oxy]methyl}-1,2,5-oxadiazol-3-yl)methyl 3,5-dinitrobenzoate

IUPAC name

{4-[(35-dinitrobenzoyloxy)methyl]-125-oxadiazol-3-yl}methyl 35-dinitrobenzoate

SMILES

[O-][N+](c1cc(C(OCc2nonc2COC(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2)=O)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C18H10N6O13/c25-17(9-1-11(21(27)28)5-12(2-9)22(29)30)35-7-15-16(20-37-19-15)8-36-18(26)10-3-13(23(31)32)6-14(4-10)24(33)34/h1-6H,7-8H2

InChI Key

AUJNOMRNWPPLMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01201671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.31

Hydrogen Bond Acceptors Count

25.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

19

Partition Coefficient, logP

3.367

Distribution Coefficient, logD

3.367

Water Solubility, LogSw

-3.52

Polar Surface Area

213.629

Acid Dissociation Constant (pKa)

28.49

Base Dissociation Constant (pKb)

-12.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8007-9336 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8007-9336 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8007-9336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-9336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-9336
  • 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 8007-9336 available by request