5637-0047 Screening compound: 3-[5-(4-bromophenyl)-1-(2-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid

5637-0047 Screening compound: 3-[5-(4-bromophenyl)-1-(2-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
5637-0047 Screening compound: 3-[5-(4-bromophenyl)-1-(2-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5637-0047
3-[5-(4-bromophenyl)-1-(2-methoxyphenyl)-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

5637-0047

Molecular Formula

C20H18BrNO3 (C20 H18 BrNO3)

Compound Name

3-[5-(4-bromophenyl)-1-(2-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid

IUPAC name

3-[5-(4-bromophenyl)-1-(2-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid

SMILES

COc(cccc1)c1-n1c(-c(cc2)ccc2Br)ccc1CCC(O)=O

InChI

InChI=1S/C20H18BrNO3/c1-25-19-5-3-2-4-18(19)22-16(11-13-20(23)24)10-12-17(22)14-6-8-15(21)9-7-14/h2-10,12H,11,13H2,1H3,(H,23,24)

InChI Key

GCBFIGSJIVQLGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03159398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.876

Distribution Coefficient, logD

2.062

Water Solubility, LogSw

-4.47

Polar Surface Area

37.109

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 5637-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5637-0047?
Check Price and Availability of 5637-0047, 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 5637-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5637-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5637-0047
  • 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 5637-0047 available by request