2568-1209 Screening compound: ethyl 5-ethyl-2-[3-(4-methylbenzenesulfonamido)naphthalene-2-amido]thiophene-3-carboxylate

2568-1209 Screening compound: ethyl 5-ethyl-2-[3-(4-methylbenzenesulfonamido)naphthalene-2-amido]thiophene-3-carboxylate
2568-1209 Screening compound: ethyl 5-ethyl-2-[3-(4-methylbenzenesulfonamido)naphthalene-2-amido]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2568-1209
ethyl 5-ethyl-2-[3-(4-methylbenzenesulfonamido)naphthalene-2-amido]thiophene-3-carboxylate

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

2568-1209

Molecular Formula

C27H26N2O5S2 (C27 H26 N2 O5 S2)

Compound Name

ethyl 5-ethyl-2-[3-(4-methylbenzenesulfonamido)naphthalene-2-amido]thiophene-3-carboxylate

IUPAC name

ethyl 5-ethyl-2-[3-(4-methylbenzenesulfonamido)naphthalene-2-amido]thiophene-3-carboxylate

SMILES

CCc1cc(C(OCC)=O)c(NC(c2cc3ccccc3cc2NS(c2ccc(C)cc2)(=O)=O)=O)s1

InChI

InChI=1S/C27H26N2O5S2/c1-4-20-16-23(27(31)34-5-2)26(35-20)28-25(30)22-14-18-8-6-7-9-19(18)15-24(22)29-36(32,33)21-12-10-17(3)11-13-21/h6-16,29H,4-5H2,1-3H3,(H,28,30)

InChI Key

IIJJEAZLQNCULK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01540497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.531

Distribution Coefficient, logD

4.620

Water Solubility, LogSw

-6.75

Polar Surface Area

83.558

Acid Dissociation Constant (pKa)

5.49

Base Dissociation Constant (pKb)

-6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

2568-1209 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 2568-1209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2568-1209?
Check Price and Availability of 2568-1209, 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 2568-1209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2568-1209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2568-1209
  • 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 2568-1209 available by request