3669-2507 Screening compound: 2-chloro-5-(3-{[(5E)-1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid

3669-2507 Screening compound: 2-chloro-5-(3-{[(5E)-1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
3669-2507 Screening compound: 2-chloro-5-(3-{[(5E)-1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3669-2507
2-chloro-5-(3-{[(5E)-1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-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

3669-2507

Molecular Formula

C24H17ClFN3O4S (C24 H17 ClFN3 O4 S)

Compound Name

2-chloro-5-(3-{[(5E)-1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid

IUPAC name

2-chloro-5-(3-{[(5E)-1-(2-fluorophenyl)-46-dioxo-2-sulfanylidene-13-diazinan-5-ylidene]methyl}-25-dimethyl-1H-pyrrol-1-yl)benzoic acid

SMILES

Cc1cc(/C=C(\C(NC(N2c(cccc3)c3F)=S)=O)/C2=O)c(C)n1-c(cc1)cc(C(O)=O)c1Cl

InChI

InChI=1S/C24H17ClFN3O4S/c1-12-9-14(13(2)28(12)15-7-8-18(25)16(11-15)23(32)33)10-17-21(30)27-24(34)29(22(17)31)20-6-4-3-5-19(20)26/h3-11H,1-2H3,(H,32,33)(H,27,30,34)

InChI Key

FOPOSXIYFISPTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.759

Distribution Coefficient, logD

-1.791

Water Solubility, LogSw

-4.09

Polar Surface Area

71.000

Acid Dissociation Constant (pKa)

1.85

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

3669-2507 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 3669-2507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3669-2507?
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What is the minimum amount of 3669-2507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3669-2507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3669-2507
  • 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 3669-2507 available by request