8004-1933 Screening compound: N-(4-{[4-(dihexylcarbamoyl)phenyl]carbamoyl}phenyl)-3-methylbenzamide

8004-1933 Screening compound: N-(4-{[4-(dihexylcarbamoyl)phenyl]carbamoyl}phenyl)-3-methylbenzamide
8004-1933 Screening compound: N-(4-{[4-(dihexylcarbamoyl)phenyl]carbamoyl}phenyl)-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1933
N-(4-{[4-(dihexylcarbamoyl)phenyl]carbamoyl}phenyl)-3-methylbenzamide

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

8004-1933

Molecular Formula

C34H43N3O3 (C34 H43 N3 O3)

Compound Name

N-(4-{[4-(dihexylcarbamoyl)phenyl]carbamoyl}phenyl)-3-methylbenzamide

IUPAC name

N-(4-{[4-(dihexylcarbamoyl)phenyl]carbamoyl}phenyl)-3-methylbenzamide

SMILES

CCCCCCN(CCCCCC)C(c(cc1)ccc1NC(c(cc1)ccc1NC(c1cc(C)ccc1)=O)=O)=O

InChI

InChI=1S/C34H43N3O3/c1-4-6-8-10-23-37(24-11-9-7-5-2)34(40)28-17-21-31(22-18-28)35-32(38)27-15-19-30(20-16-27)36-33(39)29-14-12-13-26(3)25-29/h12-22,25H,4-11,23-24H2,1-3H3,(H,35,38)(H,36,39)

InChI Key

YHFJBBCAFTVJSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.264

Distribution Coefficient, logD

8.229

Water Solubility, LogSw

-5.63

Polar Surface Area

62.860

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.20

8004-1933 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

PLpro Library (6343 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
  • Cardiovascular
  • Metabolic
  • 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 8004-1933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1933?
Check Price and Availability of 8004-1933, 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 8004-1933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1933
  • 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 8004-1933 available by request