5055-7290 Screening compound: ethyl 2-[3-(4-methylpiperazin-1-yl)propanamido]-5-phenylthiophene-3-carboxylate

5055-7290 Screening compound: ethyl 2-[3-(4-methylpiperazin-1-yl)propanamido]-5-phenylthiophene-3-carboxylate
5055-7290 Screening compound: ethyl 2-[3-(4-methylpiperazin-1-yl)propanamido]-5-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-7290
ethyl 2-[3-(4-methylpiperazin-1-yl)propanamido]-5-phenylthiophene-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

5055-7290

Molecular Formula

C21H27N3O3S (C21 H27 N3 O3 S)

Compound Name

ethyl 2-[3-(4-methylpiperazin-1-yl)propanamido]-5-phenylthiophene-3-carboxylate

IUPAC name

ethyl 2-[3-(4-methylpiperazin-1-yl)propanamido]-5-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CCN2CCN(C)CC2)=O)sc(-c2ccccc2)c1)=O

InChI

InChI=1S/C21H27N3O3S/c1-3-27-21(26)17-15-18(16-7-5-4-6-8-16)28-20(17)22-19(25)9-10-24-13-11-23(2)12-14-24/h4-8,15H,3,9-14H2,1-2H3,(H,22,25)

InChI Key

PTCOTLJOYFZMTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02943927

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

401.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.033

Distribution Coefficient, logD

2.386

Water Solubility, LogSw

-3.48

Polar Surface Area

50.852

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

7.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 5055-7290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-7290?
Check Price and Availability of 5055-7290, 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 5055-7290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-7290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-7290
  • 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 5055-7290 available by request