4130-4606 Screening compound: 2-{[(4-methylphenyl)methyl]carbamoyl}phenyl acetate

4130-4606 Screening compound: 2-{[(4-methylphenyl)methyl]carbamoyl}phenyl acetate
4130-4606 Screening compound: 2-{[(4-methylphenyl)methyl]carbamoyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-4606
2-{[(4-methylphenyl)methyl]carbamoyl}phenyl 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

4130-4606

Molecular Formula

C17H17NO3 (C17 H17 NO3)

Compound Name

2-{[(4-methylphenyl)methyl]carbamoyl}phenyl acetate

IUPAC name

2-{[(4-methylphenyl)methyl]carbamoyl}phenyl acetate

SMILES

CC(Oc(cccc1)c1C(NCc1ccc(C)cc1)=O)=O

InChI

InChI=1S/C17H17NO3/c1-12-7-9-14(10-8-12)11-18-17(20)15-5-3-4-6-16(15)21-13(2)19/h3-10H,11H2,1-2H3,(H,18,20)

InChI Key

LZCAWLZSTZZUJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01195436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.942

Distribution Coefficient, logD

2.941

Water Solubility, LogSw

-3.58

Polar Surface Area

45.489

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4130-4606 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4130-4606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-4606?
Check Price and Availability of 4130-4606, 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 4130-4606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-4606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-4606
  • 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 4130-4606 available by request