3261-0316 Screening compound: 3-({3-[(4-methoxyphenyl)carbamoyl]-4-methyl-5-phenylthiophen-2-yl}carbamoyl)propanoic acid

3261-0316 Screening compound: 3-({3-[(4-methoxyphenyl)carbamoyl]-4-methyl-5-phenylthiophen-2-yl}carbamoyl)propanoic acid
3261-0316 Screening compound: 3-({3-[(4-methoxyphenyl)carbamoyl]-4-methyl-5-phenylthiophen-2-yl}carbamoyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-0316
3-({3-[(4-methoxyphenyl)carbamoyl]-4-methyl-5-phenylthiophen-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

3261-0316

Molecular Formula

C23H22N2O5S (C23 H22 N2 O5 S)

Compound Name

3-({3-[(4-methoxyphenyl)carbamoyl]-4-methyl-5-phenylthiophen-2-yl}carbamoyl)propanoic acid

IUPAC name

3-({3-[(4-methoxyphenyl)carbamoyl]-4-methyl-5-phenylthiophen-2-yl}carbamoyl)propanoic acid

SMILES

Cc1c(-c2ccccc2)sc(NC(CCC(O)=O)=O)c1C(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C23H22N2O5S/c1-14-20(22(29)24-16-8-10-17(30-2)11-9-16)23(25-18(26)12-13-19(27)28)31-21(14)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)

InChI Key

ISTBFJSHBTUZEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01819948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.467

Distribution Coefficient, logD

0.518

Water Solubility, LogSw

-3.98

Polar Surface Area

81.929

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

3261-0316 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3261-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-0316?
Check Price and Availability of 3261-0316, 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 3261-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-0316
  • 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 3261-0316 available by request