E637-0006 Screening compound: 2-(4-FLUOROBENZYL)-N3-ISOPENTYL-3-METHYL-1-OXO-1

E637-0006 Screening compound: 2-(4-FLUOROBENZYL)-N3-ISOPENTYL-3-METHYL-1-OXO-1
E637-0006 Screening compound: 2-(4-FLUOROBENZYL)-N3-ISOPENTYL-3-METHYL-1-OXO-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound E637-0006
2-(4-FLUOROBENZYL)-N3-ISOPENTYL-3-METHYL-1-OXO-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

E637-0006

Molecular Formula

C24H27FN4O2 (C24 H27 FN4 O2)

Compound Name

2-(4-FLUOROBENZYL)-N3-ISOPENTYL-3-METHYL-1-OXO-1

IUPAC name

n/a

SMILES

CC(C)CCNC(C(C)(Cn1c2nc3c1cccc3)N(Cc(cc1)ccc1F)C2=O)=O

InChI

InChI=1S/C24H27FN4O2/c1-16(2)12-13-26-23(31)24(3)15-28-20-7-5-4-6-19(20)27-21(28)22(30)29(24)14-17-8-10-18(25)11-9-17/h4-11,16H,12-15H2,1-3H3,(H,26,31)/t24-/m0/s1

InChI Key

MXWXRFWKJPALEU-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14906147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.448

Distribution Coefficient, logD

4.448

Water Solubility, LogSw

-4.20

Polar Surface Area

50.690

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

E637-0006 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E637-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E637-0006?
Check Price and Availability of E637-0006, 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 E637-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E637-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E637-0006
  • 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 E637-0006 available by request