0089-0027 Screening compound: N1,N3-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide

0089-0027 Screening compound: N1,N3-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
0089-0027 Screening compound: N1,N3-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0089-0027
N1,N3-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide

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

0089-0027

Molecular Formula

C32H24N2O4 (C32 H24 N2 O4)

Compound Name

N1,N3-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide

IUPAC name

N1N3-bis(4-phenoxyphenyl)benzene-13-dicarboxamide

SMILES

O=C(c1cccc(C(Nc(cc2)ccc2Oc2ccccc2)=O)c1)Nc(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C32H24N2O4/c35-31(33-25-14-18-29(19-15-25)37-27-10-3-1-4-11-27)23-8-7-9-24(22-23)32(36)34-26-16-20-30(21-17-26)38-28-12-5-2-6-13-28/h1-22H,(H,33,35)(H,34,36)

InChI Key

MDLDFYRFWPNAPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00222610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.293

Distribution Coefficient, logD

7.292

Water Solubility, LogSw

-6.29

Polar Surface Area

59.916

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0089-0027 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0089-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0089-0027?
Check Price and Availability of 0089-0027, 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 0089-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0089-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0089-0027
  • 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 0089-0027 available by request