D675-0158 Screening compound: N5-benzyl-N4-[(2,5-dimethoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide

D675-0158 Screening compound: N5-benzyl-N4-[(2,5-dimethoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide
D675-0158 Screening compound: N5-benzyl-N4-[(2,5-dimethoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D675-0158
N5-benzyl-N4-[(2,5-dimethoxyphenyl)methyl]-1H-imidazole-4,5-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

D675-0158

Molecular Formula

C21H22N4O4 (C21 H22 N4 O4)

Compound Name

N5-benzyl-N4-[(2,5-dimethoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide

IUPAC name

N5-benzyl-N4-[(25-dimethoxyphenyl)methyl]-1H-imidazole-45-dicarboxamide

SMILES

COc(cc1)cc(CNC(c2c(C(NCc3ccccc3)=O)[nH]cn2)=O)c1OC

InChI

InChI=1S/C21H22N4O4/c1-28-16-8-9-17(29-2)15(10-16)12-23-21(27)19-18(24-13-25-19)20(26)22-11-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)

InChI Key

WJWQNWVKLFGBKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.068

Distribution Coefficient, logD

2.061

Water Solubility, LogSw

-2.69

Polar Surface Area

86.608

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D675-0158 in Drug Discovery

Included in Screening Libraries

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

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D675-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D675-0158?
Check Price and Availability of D675-0158, 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 D675-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D675-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D675-0158
  • 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 D675-0158 available by request