K906-3142 Screening compound: ethyl 5-(4-fluorophenyl)-2-methyl-1-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate

K906-3142 Screening compound: ethyl 5-(4-fluorophenyl)-2-methyl-1-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate
K906-3142 Screening compound: ethyl 5-(4-fluorophenyl)-2-methyl-1-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-3142
ethyl 5-(4-fluorophenyl)-2-methyl-1-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-1H-pyrrole-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

K906-3142

Molecular Formula

C22H23FN2O3S (C22 H23 FN2 O3 S)

Compound Name

ethyl 5-(4-fluorophenyl)-2-methyl-1-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 5-(4-fluorophenyl)-2-methyl-1-(2-{[(thiophen-2-yl)methyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)n(CCC(NCc2cccs2)=O)c(-c(cc2)ccc2F)c1)=O

InChI

InChI=1S/C22H23FN2O3S/c1-3-28-22(27)19-13-20(16-6-8-17(23)9-7-16)25(15(19)2)11-10-21(26)24-14-18-5-4-12-29-18/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,24,26)

InChI Key

IBTAFGWHWVSNRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.682

Distribution Coefficient, logD

4.682

Water Solubility, LogSw

-4.31

Polar Surface Area

47.140

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with K906-3142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-3142?
Check Price and Availability of K906-3142, 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 K906-3142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-3142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-3142
  • 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 K906-3142 available by request