3871-0151 Screening compound: 3-(5-{[(4Z)-1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid

3871-0151 Screening compound: 3-(5-{[(4Z)-1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
3871-0151 Screening compound: 3-(5-{[(4Z)-1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3871-0151
3-(5-{[(4Z)-1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic 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

3871-0151

Molecular Formula

C23H16N2O7 (C23 H16 N2 O7)

Compound Name

3-(5-{[(4Z)-1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid

IUPAC name

3-(5-{[(4Z)-1-[4-(methoxycarbonyl)phenyl]-35-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

COC(c(cc1)ccc1N(C(/C1=C\c2ccc(-c3cc(C(O)=O)ccc3)o2)=O)NC1=O)=O

InChI

InChI=1S/C23H16N2O7/c1-31-23(30)13-5-7-16(8-6-13)25-21(27)18(20(26)24-25)12-17-9-10-19(32-17)14-3-2-4-15(11-14)22(28)29/h2-12H,1H3,(H,24,26)(H,28,29)

InChI Key

UHFDGGPGNAZCMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.530

Distribution Coefficient, logD

0.017

Water Solubility, LogSw

-3.69

Polar Surface Area

99.912

Acid Dissociation Constant (pKa)

3.89

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

3871-0151 in Drug Discovery

Included in Screening Libraries

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 3871-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3871-0151?
Check Price and Availability of 3871-0151, 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 3871-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3871-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3871-0151
  • 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 3871-0151 available by request