8016-5583 Screening compound: heptyl 4-{[2-(1-adamantyl)acetyl]amino}benzoate

8016-5583 Screening compound: heptyl 4-{[2-(1-adamantyl)acetyl]amino}benzoate
8016-5583 Screening compound: heptyl 4-{[2-(1-adamantyl)acetyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5583
heptyl 4-{[2-(1-adamantyl)acetyl]amino}benzoate

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

8016-5583

Molecular Formula

C26H37NO3 (C26 H37 NO3)

Compound Name

heptyl 4-{[2-(1-adamantyl)acetyl]amino}benzoate

IUPAC name

heptyl 4-[2-(adamantan-1-yl)acetamido]benzoate

SMILES

CCCCCCCOC(c(cc1)ccc1NC(CC1(CC(C2)C3)CC3CC2C1)=O)=O

InChI

InChI=1S/C26H37NO3/c1-2-3-4-5-6-11-30-25(29)22-7-9-23(10-8-22)27-24(28)18-26-15-19-12-20(16-26)14-21(13-19)17-26/h7-10,19-21H,2-6,11-18H2,1H3,(H,27,28)

InChI Key

PLRFIUKTBYCEML-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.742

Distribution Coefficient, logD

7.742

Water Solubility, LogSw

-5.90

Polar Surface Area

44.197

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.23

8016-5583 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-5583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5583?
Check Price and Availability of 8016-5583, 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 8016-5583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5583
  • 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 8016-5583 available by request