V002-8552 Screening compound: BENZYL 2-{[(FURAN-2-YL)METHYL]({[(5-METHYLFURAN-2-YL)METHYL](2-PHENYLETHYL)CARBAMOYL}METHYL)AMINO}ACETATE

V002-8552 Screening compound: BENZYL 2-{[(FURAN-2-YL)METHYL]({[(5-METHYLFURAN-2-YL)METHYL](2-PHENYLETHYL)CARBAMOYL}METHYL)AMINO}ACETATE
V002-8552 Screening compound: BENZYL 2-{[(FURAN-2-YL)METHYL]({[(5-METHYLFURAN-2-YL)METHYL](2-PHENYLETHYL)CARBAMOYL}METHYL)AMINO}ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-8552
BENZYL 2-{[(FURAN-2-YL)METHYL]({[(5-METHYLFURAN-2-YL)METHYL](2-PHENYLETHYL)CARBAMOYL}METHYL)AMINO}ACETATE

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

V002-8552

Molecular Formula

C30H32N2O5 (C30 H32 N2 O5)

Compound Name

BENZYL 2-{[(FURAN-2-YL)METHYL]({[(5-METHYLFURAN-2-YL)METHYL](2-PHENYLETHYL)CARBAMOYL}METHYL)AMINO}ACETATE

IUPAC name

benzyl 2-{[(furan-2-yl)methyl]({[(5-methylfuran-2-yl)methyl](2-phenylethyl)carbamoyl}methyl)amino}acetate

SMILES

Cc1ccc(CN(CCc2ccccc2)C(CN(CC(OCc2ccccc2)=O)Cc2ccco2)=O)o1

InChI

InChI=1S/C30H32N2O5/c1-24-14-15-28(37-24)20-32(17-16-25-9-4-2-5-10-25)29(33)21-31(19-27-13-8-18-35-27)22-30(34)36-23-26-11-6-3-7-12-26/h2-15,18H,16-17,19-23H2,1H3

InChI Key

HARXXKBWGAVUQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19842775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.857

Distribution Coefficient, logD

4.857

Water Solubility, LogSw

-4.69

Polar Surface Area

54.887

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

V002-8552 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with V002-8552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-8552?
Check Price and Availability of V002-8552, 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 V002-8552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-8552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-8552
  • 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 V002-8552 available by request