6228-2455 Screening compound: methyl 2-{5-[(4-tert-butylphenoxy)methyl]furan-2-amido}benzoate

6228-2455 Screening compound: methyl 2-{5-[(4-tert-butylphenoxy)methyl]furan-2-amido}benzoate
6228-2455 Screening compound: methyl 2-{5-[(4-tert-butylphenoxy)methyl]furan-2-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-2455
methyl 2-{5-[(4-tert-butylphenoxy)methyl]furan-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

6228-2455

Molecular Formula

C24H25NO5 (C24 H25 NO5)

Compound Name

methyl 2-{5-[(4-tert-butylphenoxy)methyl]furan-2-amido}benzoate

IUPAC name

methyl 2-{5-[(4-tert-butylphenoxy)methyl]furan-2-amido}benzoate

SMILES

CC(C)(C)c(cc1)ccc1OCc1ccc(C(Nc(cccc2)c2C(OC)=O)=O)o1

InChI

InChI=1S/C24H25NO5/c1-24(2,3)16-9-11-17(12-10-16)29-15-18-13-14-21(30-18)22(26)25-20-8-6-5-7-19(20)23(27)28-4/h5-14H,15H2,1-4H3,(H,25,26)

InChI Key

JCTREOWXEWYITI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02372031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

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

5.866

Distribution Coefficient, logD

5.754

Water Solubility, LogSw

-5.61

Polar Surface Area

58.875

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6228-2455 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 6228-2455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-2455?
Check Price and Availability of 6228-2455, 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 6228-2455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-2455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-2455
  • 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 6228-2455 available by request