1988-0886 Screening compound: butyl 3-[(phenoxycarbonyl)amino]benzoate

1988-0886 Screening compound: butyl 3-[(phenoxycarbonyl)amino]benzoate
1988-0886 Screening compound: butyl 3-[(phenoxycarbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-0886
butyl 3-[(phenoxycarbonyl)amino]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

1988-0886

Molecular Formula

C18H19NO4 (C18 H19 NO4)

Compound Name

butyl 3-[(phenoxycarbonyl)amino]benzoate

IUPAC name

butyl 3-[(phenoxycarbonyl)amino]benzoate

SMILES

CCCCOC(c1cccc(NC(Oc2ccccc2)=O)c1)=O

InChI

InChI=1S/C18H19NO4/c1-2-3-12-22-17(20)14-8-7-9-15(13-14)19-18(21)23-16-10-5-4-6-11-16/h4-11,13H,2-3,12H2,1H3,(H,19,21)

InChI Key

PRLOXVIFQQIVPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01181308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.302

Distribution Coefficient, logD

5.302

Water Solubility, LogSw

-5.26

Polar Surface Area

52.354

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

1988-0886 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Frequent Hitters Library (7624 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Pool

References: we are preparing a list of scientific research reports with 1988-0886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-0886?
Check Price and Availability of 1988-0886, 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 1988-0886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0886
  • 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 1988-0886 available by request