Y032-0117 Screening compound: N,N-bis(4-methoxy-2-nitrophenyl)-5-nitroisophthalamide

Y032-0117 Screening compound: N,N-bis(4-methoxy-2-nitrophenyl)-5-nitroisophthalamide
Y032-0117 Screening compound: N,N-bis(4-methoxy-2-nitrophenyl)-5-nitroisophthalamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-0117
N,N-bis(4-methoxy-2-nitrophenyl)-5-nitroisophthalamide

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

Y032-0117

Molecular Formula

C22H17N5O10 (C22 H17 N5 O10)

Compound Name

N,N-bis(4-methoxy-2-nitrophenyl)-5-nitroisophthalamide

IUPAC name

N1N3-bis(4-methoxy-2-nitrophenyl)-5-nitrobenzene-13-dicarboxamide

SMILES

COc(cc1)cc([N+]([O-])=O)c1NC(c1cc(C(Nc(ccc(OC)c2)c2[N+]([O-])=O)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C22H17N5O10/c1-36-15-3-5-17(19(10-15)26(32)33)23-21(28)12-7-13(9-14(8-12)25(30)31)22(29)24-18-6-4-16(37-2)11-20(18)27(34)35/h3-11H,1-2H3,(H,23,28)(H,24,29)

InChI Key

YQWMHWZAHMJPMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02043902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.4

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

4.912

Distribution Coefficient, logD

2.486

Water Solubility, LogSw

-4.75

Polar Surface Area

159.655

Acid Dissociation Constant (pKa)

4.97

Base Dissociation Constant (pKb)

-7.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

References: we are preparing a list of scientific research reports with Y032-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-0117?
Check Price and Availability of Y032-0117, 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 Y032-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-0117
  • 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 Y032-0117 available by request