5591-2607 Screening compound: ethyl 4-{[(4Z)-1-oxo-4-[(thiophene-2-sulfonyl)imino]-1,4-dihydronaphthalen-2-yl]amino}benzoate

5591-2607 Screening compound: ethyl 4-{[(4Z)-1-oxo-4-[(thiophene-2-sulfonyl)imino]-1,4-dihydronaphthalen-2-yl]amino}benzoate
5591-2607 Screening compound: ethyl 4-{[(4Z)-1-oxo-4-[(thiophene-2-sulfonyl)imino]-1,4-dihydronaphthalen-2-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2607
ethyl 4-{[(4Z)-1-oxo-4-[(thiophene-2-sulfonyl)imino]-1,4-dihydronaphthalen-2-yl]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

5591-2607

Molecular Formula

C23H18N2O5S2 (C23 H18 N2 O5 S2)

Compound Name

ethyl 4-{[(4Z)-1-oxo-4-[(thiophene-2-sulfonyl)imino]-1,4-dihydronaphthalen-2-yl]amino}benzoate

IUPAC name

ethyl 4-{[(4Z)-1-oxo-4-[(thiophene-2-sulfonyl)imino]-14-dihydronaphthalen-2-yl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(c1c2cccc1)=O)=C/C2=N/S(c1cccs1)(=O)=O)=O

InChI

InChI=1S/C23H18N2O5S2/c1-2-30-23(27)15-9-11-16(12-10-15)24-20-14-19(17-6-3-4-7-18(17)22(20)26)25-32(28,29)21-8-5-13-31-21/h3-14,24H,2H2,1H3

InChI Key

DSJZJCPPLWCVAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.926

Distribution Coefficient, logD

4.926

Water Solubility, LogSw

-4.56

Polar Surface Area

83.904

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 5591-2607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2607?
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What is the minimum amount of 5591-2607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2607
  • 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 5591-2607 available by request