3338-0867 Screening compound: methyl 4-({3-[4-(methoxycarbonyl)benzamido]naphthalen-2-yl}carbamoyl)benzoate

3338-0867 Screening compound: methyl 4-({3-[4-(methoxycarbonyl)benzamido]naphthalen-2-yl}carbamoyl)benzoate
3338-0867 Screening compound: methyl 4-({3-[4-(methoxycarbonyl)benzamido]naphthalen-2-yl}carbamoyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-0867
methyl 4-({3-[4-(methoxycarbonyl)benzamido]naphthalen-2-yl}carbamoyl)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

3338-0867

Molecular Formula

C28H22N2O6 (C28 H22 N2 O6)

Compound Name

methyl 4-({3-[4-(methoxycarbonyl)benzamido]naphthalen-2-yl}carbamoyl)benzoate

IUPAC name

methyl 4-({3-[4-(methoxycarbonyl)benzamido]naphthalen-2-yl}carbamoyl)benzoate

SMILES

COC(c(cc1)ccc1C(Nc1cc2ccccc2cc1NC(c(cc1)ccc1C(OC)=O)=O)=O)=O

InChI

InChI=1S/C28H22N2O6/c1-35-27(33)19-11-7-17(8-12-19)25(31)29-23-15-21-5-3-4-6-22(21)16-24(23)30-26(32)18-9-13-20(14-10-18)28(34)36-2/h3-16H,1-2H3,(H,29,31)(H,30,32)

InChI Key

GWBPZXPQYWQCJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03826534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.252

Distribution Coefficient, logD

5.219

Water Solubility, LogSw

-6.19

Polar Surface Area

87.101

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

3338-0867 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3338-0867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-0867?
Check Price and Availability of 3338-0867, 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 3338-0867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-0867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-0867
  • 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 3338-0867 available by request