F423-0539 Screening compound: 4-(4-chlorophenyl)-N-[(3,4-diethoxyphenyl)methyl]-3-(1H-pyrrol-1-yl)thiophene-2-carboxamide

F423-0539 Screening compound: 4-(4-chlorophenyl)-N-[(3,4-diethoxyphenyl)methyl]-3-(1H-pyrrol-1-yl)thiophene-2-carboxamide
F423-0539 Screening compound: 4-(4-chlorophenyl)-N-[(3,4-diethoxyphenyl)methyl]-3-(1H-pyrrol-1-yl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F423-0539
4-(4-chlorophenyl)-N-[(3,4-diethoxyphenyl)methyl]-3-(1H-pyrrol-1-yl)thiophene-2-carboxamide

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

F423-0539

Molecular Formula

C26H25ClN2O3S (C26 H25 ClN2 O3 S)

Compound Name

4-(4-chlorophenyl)-N-[(3,4-diethoxyphenyl)methyl]-3-(1H-pyrrol-1-yl)thiophene-2-carboxamide

IUPAC name

4-(4-chlorophenyl)-N-[(34-diethoxyphenyl)methyl]-3-(1H-pyrrol-1-yl)thiophene-2-carboxamide

SMILES

CCOc(ccc(CNC(c(scc1-c(cc2)ccc2Cl)c1-n1cccc1)=O)c1)c1OCC

InChI

InChI=1S/C26H25ClN2O3S/c1-3-31-22-12-7-18(15-23(22)32-4-2)16-28-26(30)25-24(29-13-5-6-14-29)21(17-33-25)19-8-10-20(27)11-9-19/h5-15,17H,3-4,16H2,1-2H3,(H,28,30)

InChI Key

RZAAKGZKZQFLHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18788656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.032

Distribution Coefficient, logD

6.032

Water Solubility, LogSw

-6.05

Polar Surface Area

43.203

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

F423-0539 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F423-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F423-0539?
Check Price and Availability of F423-0539, 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 F423-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F423-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F423-0539
  • 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 F423-0539 available by request