8001-3980 Screening compound: 3-methyl-N-[4-(undecylcarbamoyl)phenyl]benzamide

8001-3980 Screening compound: 3-methyl-N-[4-(undecylcarbamoyl)phenyl]benzamide
8001-3980 Screening compound: 3-methyl-N-[4-(undecylcarbamoyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-3980
3-methyl-N-[4-(undecylcarbamoyl)phenyl]benzamide

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

8001-3980

Molecular Formula

C26H36N2O2 (C26 H36 N2 O2)

Compound Name

3-methyl-N-[4-(undecylcarbamoyl)phenyl]benzamide

IUPAC name

3-methyl-N-[4-(undecylcarbamoyl)phenyl]benzamide

SMILES

CCCCCCCCCCCNC(c(cc1)ccc1NC(c1cc(C)ccc1)=O)=O

InChI

InChI=1S/C26H36N2O2/c1-3-4-5-6-7-8-9-10-11-19-27-25(29)22-15-17-24(18-16-22)28-26(30)23-14-12-13-21(2)20-23/h12-18,20H,3-11,19H2,1-2H3,(H,27,29)(H,28,30)

InChI Key

GTDQFHVHQXDDMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00342366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.106

Distribution Coefficient, logD

7.071

Water Solubility, LogSw

-5.55

Polar Surface Area

47.856

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

8001-3980 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8001-3980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-3980?
Check Price and Availability of 8001-3980, 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 8001-3980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-3980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-3980
  • 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 8001-3980 available by request