3627-0348 Screening compound: 3,5-bis({2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido})benzoic acid

3627-0348 Screening compound: 3,5-bis({2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido})benzoic acid
3627-0348 Screening compound: 3,5-bis({2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido})benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3627-0348
3,5-bis({2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido})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

3627-0348

Molecular Formula

C27H24N6O6S2 (C27 H24 N6 O6 S2)

Compound Name

3,5-bis({2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido})benzoic acid

IUPAC name

35-bis({2-[(5-methoxy-1H-13-benzodiazol-2-yl)sulfanyl]acetamido})benzoic acid

SMILES

COc(cc1)cc2c1[nH]c(SCC(Nc1cc(C(O)=O)cc(NC(CSc3nc(cc(cc4)OC)c4[nH]3)=O)c1)=O)n2

InChI

InChI=1S/C27H24N6O6S2/c1-38-17-3-5-19-21(10-17)32-26(30-19)40-12-23(34)28-15-7-14(25(36)37)8-16(9-15)29-24(35)13-41-27-31-20-6-4-18(39-2)11-22(20)33-27/h3-11H,12-13H2,1-2H3,(H,28,34)(H,29,35)(H,30,32)(H,31,33)(H,36,37)

InChI Key

YSWUERTYFXXAFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02008332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.66

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.005

Distribution Coefficient, logD

1.623

Water Solubility, LogSw

-4.27

Polar Surface Area

125.516

Acid Dissociation Constant (pKa)

5.02

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

3627-0348 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 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 3627-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3627-0348?
Check Price and Availability of 3627-0348, 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 3627-0348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3627-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3627-0348
  • 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 3627-0348 available by request