8006-3959 Screening compound: 4-bromo-2-[(E)-{[(2,2-diphenylcyclopropyl)formamido]imino}methyl]phenyl furan-2-carboxylate

8006-3959 Screening compound: 4-bromo-2-[(E)-{[(2,2-diphenylcyclopropyl)formamido]imino}methyl]phenyl furan-2-carboxylate
8006-3959 Screening compound: 4-bromo-2-[(E)-{[(2,2-diphenylcyclopropyl)formamido]imino}methyl]phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3959
4-bromo-2-[(E)-{[(2,2-diphenylcyclopropyl)formamido]imino}methyl]phenyl furan-2-carboxylate

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

8006-3959

Molecular Formula

C28H21BrN2O4 (C28 H21 BrN2 O4)

Compound Name

4-bromo-2-[(E)-{[(2,2-diphenylcyclopropyl)formamido]imino}methyl]phenyl furan-2-carboxylate

IUPAC name

4-bromo-2-[(E)-{[(22-diphenylcyclopropyl)formamido]imino}methyl]phenyl furan-2-carboxylate

SMILES

O=C(C(C1)C1(c1ccccc1)c1ccccc1)N/N=C/c(cc(cc1)Br)c1OC(c1ccco1)=O

InChI

InChI=1S/C28H21BrN2O4/c29-22-13-14-24(35-27(33)25-12-7-15-34-25)19(16-22)18-30-31-26(32)23-17-28(23,20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-16,18,23H,17H2,(H,31,32)/t23-/m1/s1

InChI Key

HEJKILMWEVOIKG-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD00824857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.253

Distribution Coefficient, logD

5.142

Water Solubility, LogSw

-6.06

Polar Surface Area

64.577

Acid Dissociation Constant (pKa)

6.32

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.70

8006-3959 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 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 8006-3959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3959?
Check Price and Availability of 8006-3959, 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 8006-3959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3959
  • 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 8006-3959 available by request