P099-0714 Screening compound: methyl 3-({2-[1-[(4-methylpiperidino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]acetyl}amino)benzoate

P099-0714 Screening compound: methyl 3-({2-[1-[(4-methylpiperidino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]acetyl}amino)benzoate
P099-0714 Screening compound: methyl 3-({2-[1-[(4-methylpiperidino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P099-0714
methyl 3-({2-[1-[(4-methylpiperidino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]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

P099-0714

Molecular Formula

C26H31N3O4 (C26 H31 N3 O4)

Compound Name

methyl 3-({2-[1-[(4-methylpiperidino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]acetyl}amino)benzoate

IUPAC name

methyl 3-{2-[1-(4-methylpiperidine-1-carbonyl)-1234-tetrahydroisoquinolin-2-yl]acetamido}benzoate

SMILES

CC(CC1)CCN1C(C1N(CC(Nc2cccc(C(OC)=O)c2)=O)CCc2c1cccc2)=O

InChI

InChI=1S/C26H31N3O4/c1-18-10-13-28(14-11-18)25(31)24-22-9-4-3-6-19(22)12-15-29(24)17-23(30)27-21-8-5-7-20(16-21)26(32)33-2/h3-9,16,18,24H,10-15,17H2,1-2H3,(H,27,30)/t24-/m1/s1

InChI Key

FDYMPLRLPIFMDQ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD27564672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.127

Distribution Coefficient, logD

4.127

Water Solubility, LogSw

-4.20

Polar Surface Area

64.354

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.31

P099-0714 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P099-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P099-0714?
Check Price and Availability of P099-0714, 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 P099-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P099-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P099-0714
  • 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 P099-0714 available by request