8004-0649 Screening compound: N,N-bis(2-methoxy-5-nitrophenyl)terephthalamide

8004-0649 Screening compound: N,N-bis(2-methoxy-5-nitrophenyl)terephthalamide
8004-0649 Screening compound: N,N-bis(2-methoxy-5-nitrophenyl)terephthalamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0649
N,N-bis(2-methoxy-5-nitrophenyl)terephthalamide

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

8004-0649

Molecular Formula

C22H18N4O8 (C22 H18 N4 O8)

Compound Name

N,N-bis(2-methoxy-5-nitrophenyl)terephthalamide

IUPAC name

N1N4-bis(2-methoxy-5-nitrophenyl)benzene-14-dicarboxamide

SMILES

COc(ccc([N+]([O-])=O)c1)c1NC(c(cc1)ccc1C(Nc(cc(cc1)[N+]([O-])=O)c1OC)=O)=O

InChI

InChI=1S/C22H18N4O8/c1-33-19-9-7-15(25(29)30)11-17(19)23-21(27)13-3-5-14(6-4-13)22(28)24-18-12-16(26(31)32)8-10-20(18)34-2/h3-12H,1-2H3,(H,23,27)(H,24,28)

InChI Key

GQEJGGOJSKJACB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00569276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.41

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.431

Distribution Coefficient, logD

2.893

Water Solubility, LogSw

-3.83

Polar Surface Area

127.049

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

References: we are preparing a list of scientific research reports with 8004-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0649?
Check Price and Availability of 8004-0649, 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 8004-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0649
  • 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 8004-0649 available by request