8017-2536 Screening compound: 5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydro-2-pyrimidinyl)-1-ethenyl]-1,3-dimethyl-6-nitro-1,3-dihydro-2H-1,3-benzimidazol-2-one

8017-2536 Screening compound: 5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydro-2-pyrimidinyl)-1-ethenyl]-1,3-dimethyl-6-nitro-1,3-dihydro-2H-1,3-benzimidazol-2-one
8017-2536 Screening compound: 5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydro-2-pyrimidinyl)-1-ethenyl]-1,3-dimethyl-6-nitro-1,3-dihydro-2H-1,3-benzimidazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2536
5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydro-2-pyrimidinyl)-1-ethenyl]-1,3-dimethyl-6-nitro-1,3-dihydro-2H-1,3-benzimidazol-2-one

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

8017-2536

Molecular Formula

C15H12N6O7 (C15 H12 N6 O7)

Compound Name

5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydro-2-pyrimidinyl)-1-ethenyl]-1,3-dimethyl-6-nitro-1,3-dihydro-2H-1,3-benzimidazol-2-one

IUPAC name

5-[(1E)-2-(4-hydroxy-5-nitro-6-oxo-16-dihydropyrimidin-2-yl)ethenyl]-13-dimethyl-6-nitro-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CN(c(c(N1C)c2)cc(/C=C/C(NC3=O)=NC(O)=C3[N+]([O-])=O)c2[N+]([O-])=O)C1=O

InChI

InChI=1S/C15H12N6O7/c1-18-9-5-7(8(20(25)26)6-10(9)19(2)15(18)24)3-4-11-16-13(22)12(21(27)28)14(23)17-11/h3-6H,1-2H3,(H2,16,17,22,23)

InChI Key

HJCFSKSOGSILOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.3

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

0.956

Distribution Coefficient, logD

-7.552

Water Solubility, LogSw

-2.24

Polar Surface Area

135.136

Acid Dissociation Constant (pKa)

-1.11

Base Dissociation Constant (pKb)

-4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

References: we are preparing a list of scientific research reports with 8017-2536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2536?
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What is the minimum amount of 8017-2536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2536
  • 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 8017-2536 available by request