D073-0305 Screening compound: N-(2-{5-[(cyclohexylcarbamoyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)furan-2-carboxamide

D073-0305 Screening compound: N-(2-{5-[(cyclohexylcarbamoyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)furan-2-carboxamide
D073-0305 Screening compound: N-(2-{5-[(cyclohexylcarbamoyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0305
N-(2-{5-[(cyclohexylcarbamoyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)furan-2-carboxamide

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

D073-0305

Molecular Formula

C22H27N5O3 (C22 H27 N5 O3)

Compound Name

N-(2-{5-[(cyclohexylcarbamoyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)furan-2-carboxamide

IUPAC name

N-(2-{5-[(cyclohexylcarbamoyl)amino]-1-methyl-1H-13-benzodiazol-2-yl}ethyl)furan-2-carboxamide

SMILES

Cn1c(ccc(NC(NC2CCCCC2)=O)c2)c2nc1CCNC(c1ccco1)=O

InChI

InChI=1S/C22H27N5O3/c1-27-18-10-9-16(25-22(29)24-15-6-3-2-4-7-15)14-17(18)26-20(27)11-12-23-21(28)19-8-5-13-30-19/h5,8-10,13-15H,2-4,6-7,11-12H2,1H3,(H,23,28)(H2,24,25,29)

InChI Key

WLHNSRCYMHFXOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06596523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.838

Distribution Coefficient, logD

2.838

Water Solubility, LogSw

-3.30

Polar Surface Area

78.408

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

D073-0305 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

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

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D073-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0305?
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What is the minimum amount of D073-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0305
  • 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 D073-0305 available by request