6049-2771 Screening compound: 3-{[4-(4-fluorophenyl)-5-methyl-3-(propoxycarbonyl)thiophen-2-yl]carbamoyl}propanoic acid

6049-2771 Screening compound: 3-{[4-(4-fluorophenyl)-5-methyl-3-(propoxycarbonyl)thiophen-2-yl]carbamoyl}propanoic acid
6049-2771 Screening compound: 3-{[4-(4-fluorophenyl)-5-methyl-3-(propoxycarbonyl)thiophen-2-yl]carbamoyl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-2771
3-{[4-(4-fluorophenyl)-5-methyl-3-(propoxycarbonyl)thiophen-2-yl]carbamoyl}propanoic acid

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

6049-2771

Molecular Formula

C19H20FNO5S (C19 H20 FNO5 S)

Compound Name

3-{[4-(4-fluorophenyl)-5-methyl-3-(propoxycarbonyl)thiophen-2-yl]carbamoyl}propanoic acid

IUPAC name

3-{[4-(4-fluorophenyl)-5-methyl-3-(propoxycarbonyl)thiophen-2-yl]carbamoyl}propanoic acid

SMILES

CCCOC(c1c(NC(CCC(O)=O)=O)sc(C)c1-c(cc1)ccc1F)=O

InChI

InChI=1S/C19H20FNO5S/c1-3-10-26-19(25)17-16(12-4-6-13(20)7-5-12)11(2)27-18(17)21-14(22)8-9-15(23)24/h4-7H,3,8-10H2,1-2H3,(H,21,22)(H,23,24)

InChI Key

IAHHESVBNPKBPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02177046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

0.388

Water Solubility, LogSw

-3.46

Polar Surface Area

72.342

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 6049-2771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-2771?
Check Price and Availability of 6049-2771, 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 6049-2771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-2771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-2771
  • 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 6049-2771 available by request