8013-1677 Screening compound: N1,N1-dicyclohexyl-N4-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide

8013-1677 Screening compound: N1,N1-dicyclohexyl-N4-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide
8013-1677 Screening compound: N1,N1-dicyclohexyl-N4-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1677
N1,N1-dicyclohexyl-N4-(1-phenylcyclopropyl)benzene-1,4-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

8013-1677

Molecular Formula

C29H36N2O2 (C29 H36 N2 O2)

Compound Name

N1,N1-dicyclohexyl-N4-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide

IUPAC name

N1N1-dicyclohexyl-N4-(1-phenylcyclopropyl)benzene-14-dicarboxamide

SMILES

O=C(c(cc1)ccc1C(N(C1CCCCC1)C1CCCCC1)=O)NC1(CC1)c1ccccc1

InChI

InChI=1S/C29H36N2O2/c32-27(30-29(20-21-29)24-10-4-1-5-11-24)22-16-18-23(19-17-22)28(33)31(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1,4-5,10-11,16-19,25-26H,2-3,6-9,12-15,20-21H2,(H,30,32)

InChI Key

MKGXTOWCLUBYAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.718

Distribution Coefficient, logD

5.716

Water Solubility, LogSw

-5.90

Polar Surface Area

39.012

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.70

8013-1677 in Drug Discovery

Included in Screening Libraries

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

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8013-1677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1677?
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What is the minimum amount of 8013-1677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1677
  • 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 8013-1677 available by request