0242-0731 Screening compound: 7,9-dinitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-5-one

0242-0731 Screening compound: 7,9-dinitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-5-one
0242-0731 Screening compound: 7,9-dinitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0731
7,9-dinitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-5-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

0242-0731

Molecular Formula

C9H8N4O5 (C9 H8 N4 O5)

Compound Name

7,9-dinitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-5-one

IUPAC name

79-dinitro-2345-tetrahydro-1H-14-benzodiazepin-5-one

SMILES

[O-][N+](c(cc12)cc([N+]([O-])=O)c2NCCNC1=O)=O

InChI

InChI=1S/C9H8N4O5/c14-9-6-3-5(12(15)16)4-7(13(17)18)8(6)10-1-2-11-9/h3-4,10H,1-2H2,(H,11,14)

InChI Key

DURANIMFVQVBFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00434228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.19

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.293

Distribution Coefficient, logD

0.292

Water Solubility, LogSw

-2.08

Polar Surface Area

101.339

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

-4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 0242-0731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0731?
Check Price and Availability of 0242-0731, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0242-0731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0731
  • 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 0242-0731 available by request