6060-0112 Screening compound: 3-[5-(4-chlorophenyl)-1-(propan-2-yl)-1H-pyrrol-2-yl]propanoic acid

6060-0112 Screening compound: 3-[5-(4-chlorophenyl)-1-(propan-2-yl)-1H-pyrrol-2-yl]propanoic acid
6060-0112 Screening compound: 3-[5-(4-chlorophenyl)-1-(propan-2-yl)-1H-pyrrol-2-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6060-0112
3-[5-(4-chlorophenyl)-1-(propan-2-yl)-1H-pyrrol-2-yl]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

6060-0112

Molecular Formula

C16H18ClNO2 (C16 H18 ClNO2)

Compound Name

3-[5-(4-chlorophenyl)-1-(propan-2-yl)-1H-pyrrol-2-yl]propanoic acid

IUPAC name

3-[5-(4-chlorophenyl)-1-(propan-2-yl)-1H-pyrrol-2-yl]propanoic acid

SMILES

CC(C)n1c(-c(cc2)ccc2Cl)ccc1CCC(O)=O

InChI

InChI=1S/C16H18ClNO2/c1-11(2)18-14(8-10-16(19)20)7-9-15(18)12-3-5-13(17)6-4-12/h3-7,9,11H,8,10H2,1-2H3,(H,19,20)

InChI Key

XFNKORXOFHSNNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04210047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.78

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.164

Distribution Coefficient, logD

1.350

Water Solubility, LogSw

-4.33

Polar Surface Area

30.383

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 6060-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6060-0112?
Check Price and Availability of 6060-0112, 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 6060-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6060-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6060-0112
  • 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 6060-0112 available by request