V003-6733 Screening compound: ethyl 4-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-3-(3-methyl-1-benzofuran-2-amido)benzoate

V003-6733 Screening compound: ethyl 4-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-3-(3-methyl-1-benzofuran-2-amido)benzoate
V003-6733 Screening compound: ethyl 4-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-3-(3-methyl-1-benzofuran-2-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-6733
ethyl 4-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-3-(3-methyl-1-benzofuran-2-amido)benzoate

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

V003-6733

Molecular Formula

C28H25N3O4 (C28 H25 N3 O4)

Compound Name

ethyl 4-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-3-(3-methyl-1-benzofuran-2-amido)benzoate

IUPAC name

ethyl 4-(56-dimethyl-1H-13-benzodiazol-1-yl)-3-(3-methyl-1-benzofuran-2-amido)benzoate

SMILES

CCOC(c(cc1)cc(NC(c2c(C)c(cccc3)c3o2)=O)c1-n1c(cc(C)c(C)c2)c2nc1)=O

InChI

InChI=1S/C28H25N3O4/c1-5-34-28(33)19-10-11-23(31-15-29-21-12-16(2)17(3)13-24(21)31)22(14-19)30-27(32)26-18(4)20-8-6-7-9-25(20)35-26/h6-15H,5H2,1-4H3,(H,30,32)

InChI Key

IBHPWCBMGPKXNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964825

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.975

Distribution Coefficient, logD

6.735

Water Solubility, LogSw

-5.84

Polar Surface Area

62.254

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

V003-6733 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V003-6733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6733?
Check Price and Availability of V003-6733, 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 V003-6733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6733
  • 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 V003-6733 available by request