F687-0401 Screening compound: 5-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-2-(2-methylpropanamido)benzoic acid

F687-0401 Screening compound: 5-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-2-(2-methylpropanamido)benzoic acid
F687-0401 Screening compound: 5-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-2-(2-methylpropanamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F687-0401
5-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-2-(2-methylpropanamido)benzoic acid

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

F687-0401

Molecular Formula

C21H32N4O4 (C21 H32 N4 O4)

Compound Name

5-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-2-(2-methylpropanamido)benzoic acid

IUPAC name

5-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-2-(2-methylpropanamido)benzoic acid

SMILES

CC(C)C(Nc(ccc(N1CCN(CC(NC(C)(C)C)=O)CC1)c1)c1C(O)=O)=O

InChI

InChI=1S/C21H32N4O4/c1-14(2)19(27)22-17-7-6-15(12-16(17)20(28)29)25-10-8-24(9-11-25)13-18(26)23-21(3,4)5/h6-7,12,14H,8-11,13H2,1-5H3,(H,22,27)(H,23,26)(H,28,29)

InChI Key

NOPWCDBLVNAJSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27185267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.762

Distribution Coefficient, logD

-0.941

Water Solubility, LogSw

-2.92

Polar Surface Area

81.871

Acid Dissociation Constant (pKa)

3.70

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

F687-0401 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F687-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F687-0401?
Check Price and Availability of F687-0401, 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 F687-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F687-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F687-0401
  • 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 F687-0401 available by request