Y031-8873 Screening compound: N,N-bis(4-fluoro-3-nitrophenyl)isophthalamide

Y031-8873 Screening compound: N,N-bis(4-fluoro-3-nitrophenyl)isophthalamide
Y031-8873 Screening compound: N,N-bis(4-fluoro-3-nitrophenyl)isophthalamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-8873
N,N-bis(4-fluoro-3-nitrophenyl)isophthalamide

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

Y031-8873

Molecular Formula

C20H12F2N4O6 (C20 H12 F2 N4 O6)

Compound Name

N,N-bis(4-fluoro-3-nitrophenyl)isophthalamide

IUPAC name

N1N3-bis(4-fluoro-3-nitrophenyl)benzene-13-dicarboxamide

SMILES

[O-][N+](c(cc(cc1)NC(c2cccc(C(Nc(cc3)cc([N+]([O-])=O)c3F)=O)c2)=O)c1F)=O

InChI

InChI=1S/C20H12F2N4O6/c21-15-6-4-13(9-17(15)25(29)30)23-19(27)11-2-1-3-12(8-11)20(28)24-14-5-7-16(22)18(10-14)26(31)32/h1-10H,(H,23,27)(H,24,28)

InChI Key

NIRSEGLMOBDMPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01213592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.34

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.832

Distribution Coefficient, logD

2.291

Water Solubility, LogSw

-4.35

Polar Surface Area

112.582

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with Y031-8873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-8873?
Check Price and Availability of Y031-8873, 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 Y031-8873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-8873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-8873
  • 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 Y031-8873 available by request