2164-1108 Screening compound: methyl 4-(adamantane-1-amido)benzoate

2164-1108 Screening compound: methyl 4-(adamantane-1-amido)benzoate
2164-1108 Screening compound: methyl 4-(adamantane-1-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2164-1108
methyl 4-(adamantane-1-amido)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

2164-1108

Molecular Formula

C19H23NO3 (C19 H23 NO3)

Compound Name

methyl 4-(adamantane-1-amido)benzoate

IUPAC name

methyl 4-(adamantane-1-amido)benzoate

SMILES

COC(c(cc1)ccc1NC(C1(CC(C2)C3)CC3CC2C1)=O)=O

InChI

InChI=1S/C19H23NO3/c1-23-17(21)15-2-4-16(5-3-15)20-18(22)19-9-12-6-13(10-19)8-14(7-12)11-19/h2-5,12-14H,6-11H2,1H3,(H,20,22)

InChI Key

FXQSIFYTVIYLTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00226424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.798

Distribution Coefficient, logD

4.797

Water Solubility, LogSw

-4.67

Polar Surface Area

44.537

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

2164-1108 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 2164-1108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2164-1108?
Check Price and Availability of 2164-1108, 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 2164-1108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2164-1108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2164-1108
  • 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 2164-1108 available by request