8007-3961 Screening compound: 4-(methylamino)-3,5-dinitrobenzoate

8007-3961 Screening compound: 4-(methylamino)-3,5-dinitrobenzoate
8007-3961 Screening compound: 4-(methylamino)-3,5-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-3961
4-(methylamino)-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

8007-3961

Molecular Formula

C8H6N3O6 (C8 H6 N3 O6)

Compound Name

4-(methylamino)-3,5-dinitrobenzoate

IUPAC name

4-(methylamino)-35-dinitrobenzoate

SMILES

CNc(c([N+]([O-])=O)cc(C([O-])=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C8H7N3O6/c1-9-7-5(10(14)15)2-4(8(12)13)3-6(7)11(16)17/h2-3,9H,1H3,(H,12,13)/p-1

InChI Key

CEJSJXWFXSXWCA-UHFFFAOYSA-M

MDL Number (MFCD)

MFCD01304600

Chemical and Physical Properties

Saltdata

NH4+

Molecular Weight

240.15

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.087

Distribution Coefficient, logD

1.087

Water Solubility, LogSw

-1.88

Polar Surface Area

104.069

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

-6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8007-3961 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8007-3961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-3961?
Check Price and Availability of 8007-3961, 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 8007-3961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-3961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-3961
  • 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 8007-3961 available by request