P272-0091 Screening compound: N4-(2-CHLORO-4-FLUOROBENZYL)-1-[3-(5-METHYL-1

P272-0091 Screening compound: N4-(2-CHLORO-4-FLUOROBENZYL)-1-[3-(5-METHYL-1
P272-0091 Screening compound: N4-(2-CHLORO-4-FLUOROBENZYL)-1-[3-(5-METHYL-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound P272-0091
N4-(2-CHLORO-4-FLUOROBENZYL)-1-[3-(5-METHYL-1

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

P272-0091

Molecular Formula

C21H21ClFN5O2 (C21 H21 ClFN5 O2)

Compound Name

N4-(2-CHLORO-4-FLUOROBENZYL)-1-[3-(5-METHYL-1

IUPAC name

n/a

SMILES

Cc1nc(-c2cccnc2N(CC2)CCC2C(NCc(ccc(F)c2)c2Cl)=O)no1

InChI

InChI=1S/C21H21ClFN5O2/c1-13-26-19(27-30-13)17-3-2-8-24-20(17)28-9-6-14(7-10-28)21(29)25-12-15-4-5-16(23)11-18(15)22/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,25,29)

InChI Key

MZAZPLAPIIDOMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27571111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.665

Distribution Coefficient, logD

2.706

Water Solubility, LogSw

-4.01

Polar Surface Area

67.990

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.00

P272-0091 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P272-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P272-0091?
Check Price and Availability of P272-0091, 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 P272-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P272-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P272-0091
  • 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 P272-0091 available by request