4478-7536 Screening compound: methyl 4-(4-{[4-(methoxycarbonyl)phenyl]carbamoyl}butanamido)benzoate

4478-7536 Screening compound: methyl 4-(4-{[4-(methoxycarbonyl)phenyl]carbamoyl}butanamido)benzoate
4478-7536 Screening compound: methyl 4-(4-{[4-(methoxycarbonyl)phenyl]carbamoyl}butanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-7536
methyl 4-(4-{[4-(methoxycarbonyl)phenyl]carbamoyl}butanamido)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

4478-7536

Molecular Formula

C21H22N2O6 (C21 H22 N2 O6)

Compound Name

methyl 4-(4-{[4-(methoxycarbonyl)phenyl]carbamoyl}butanamido)benzoate

IUPAC name

methyl 4-(4-{[4-(methoxycarbonyl)phenyl]carbamoyl}butanamido)benzoate

SMILES

COC(c(cc1)ccc1NC(CCCC(Nc(cc1)ccc1C(OC)=O)=O)=O)=O

InChI

InChI=1S/C21H22N2O6/c1-28-20(26)14-6-10-16(11-7-14)22-18(24)4-3-5-19(25)23-17-12-8-15(9-13-17)21(27)29-2/h6-13H,3-5H2,1-2H3,(H,22,24)(H,23,25)

InChI Key

JYAKEHDQWQQVPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02603452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.597

Distribution Coefficient, logD

2.597

Water Solubility, LogSw

-3.16

Polar Surface Area

88.613

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4478-7536 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4478-7536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-7536?
Check Price and Availability of 4478-7536, 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 4478-7536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-7536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-7536
  • 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 4478-7536 available by request