3888-0002 Screening compound: 2-{[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid

3888-0002 Screening compound: 2-{[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
3888-0002 Screening compound: 2-{[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3888-0002
2-{[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}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

3888-0002

Molecular Formula

C17H12FNO4S (C17 H12 FNO4 S)

Compound Name

2-{[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid

IUPAC name

2-{[1-(4-fluorophenyl)-25-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid

SMILES

OC(c(cccc1)c1SC(CC(N1c(cc2)ccc2F)=O)C1=O)=O

InChI

InChI=1S/C17H12FNO4S/c18-10-5-7-11(8-6-10)19-15(20)9-14(16(19)21)24-13-4-2-1-3-12(13)17(22)23/h1-8,14H,9H2,(H,22,23)/t14-/m0/s1

InChI Key

BZPQIBLRPSZJIK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02071900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.232

Distribution Coefficient, logD

-0.379

Water Solubility, LogSw

-2.69

Polar Surface Area

57.566

Acid Dissociation Constant (pKa)

4.79

Base Dissociation Constant (pKb)

-6.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

3888-0002 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3888-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3888-0002?
Check Price and Availability of 3888-0002, 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 3888-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3888-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3888-0002
  • 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 3888-0002 available by request