4678-0495 Screening compound: butyl 4-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]amino}benzoate

4678-0495 Screening compound: butyl 4-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]amino}benzoate
4678-0495 Screening compound: butyl 4-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-0495
butyl 4-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]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

4678-0495

Molecular Formula

C24H24N2O4S (C24 H24 N2 O4 S)

Compound Name

butyl 4-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]amino}benzoate

IUPAC name

butyl 4-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]amino}benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(C(c1cccs1)=O)NC(c1ccccc1)=O)=O

InChI

InChI=1S/C24H24N2O4S/c1-2-3-15-30-24(29)18-11-13-19(14-12-18)25-22(21(27)20-10-7-16-31-20)26-23(28)17-8-5-4-6-9-17/h4-14,16,22,25H,2-3,15H2,1H3,(H,26,28)/t22-/m1/s1

InChI Key

NDQBTKKRDMWRQM-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03447897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.153

Distribution Coefficient, logD

5.153

Water Solubility, LogSw

-5.09

Polar Surface Area

68.983

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 4678-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-0495?
Check Price and Availability of 4678-0495, 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 4678-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-0495
  • 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 4678-0495 available by request