8007-3291 Screening compound: 4-{[(2-butyl-3-methylcyclopropyl)carbonyl]amino}-N-undecylbenzamide

8007-3291 Screening compound: 4-{[(2-butyl-3-methylcyclopropyl)carbonyl]amino}-N-undecylbenzamide
8007-3291 Screening compound: 4-{[(2-butyl-3-methylcyclopropyl)carbonyl]amino}-N-undecylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-3291
4-{[(2-butyl-3-methylcyclopropyl)carbonyl]amino}-N-undecylbenzamide

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

8007-3291

Molecular Formula

C27H44N2O2 (C27 H44 N2 O2)

Compound Name

4-{[(2-butyl-3-methylcyclopropyl)carbonyl]amino}-N-undecylbenzamide

IUPAC name

4-(2-butyl-3-methylcyclopropaneamido)-N-undecylbenzamide

SMILES

CCCCCCCCCCCNC(c(cc1)ccc1NC(C1C(CCCC)C1C)=O)=O

InChI

InChI=1S/C27H44N2O2/c1-4-6-8-9-10-11-12-13-14-20-28-26(30)22-16-18-23(19-17-22)29-27(31)25-21(3)24(25)15-7-5-2/h16-19,21,24-25H,4-15,20H2,1-3H3,(H,28,30)(H,29,31)

InChI Key

QJRJGPHNFPYCFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00332441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.806

Distribution Coefficient, logD

7.805

Water Solubility, LogSw

-5.81

Polar Surface Area

48.379

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

70.37

8007-3291 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8007-3291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-3291?
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What is the minimum amount of 8007-3291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-3291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-3291
  • 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 8007-3291 available by request