2995-1360 Screening compound: N,N-dibenzyl-2-({3-[4-(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenoxy]-2-hydroxypropyl}sulfamoyl)benzamide

2995-1360 Screening compound: N,N-dibenzyl-2-({3-[4-(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenoxy]-2-hydroxypropyl}sulfamoyl)benzamide
2995-1360 Screening compound: N,N-dibenzyl-2-({3-[4-(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenoxy]-2-hydroxypropyl}sulfamoyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2995-1360
N,N-dibenzyl-2-({3-[4-(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenoxy]-2-hydroxypropyl}sulfamoyl)benzamide

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

2995-1360

Molecular Formula

C38H37N3O7S (C38 H37 N3 O7 S)

Compound Name

N,N-dibenzyl-2-({3-[4-(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenoxy]-2-hydroxypropyl}sulfamoyl)benzamide

IUPAC name

NN-dibenzyl-2-({3-[4-(13-dioxo-233a477a-hexahydro-1H-isoindol-2-yl)phenoxy]-2-hydroxypropyl}sulfamoyl)benzamide

SMILES

OC(CNS(c(cccc1)c1C(N(Cc1ccccc1)Cc1ccccc1)=O)(=O)=O)COc(cc1)ccc1N(C(C1C2CC=CC1)=O)C2=O

InChI

InChI=1S/C38H37N3O7S/c42-30(26-48-31-21-19-29(20-22-31)41-37(44)32-15-7-8-16-33(32)38(41)45)23-39-49(46,47)35-18-10-9-17-34(35)36(43)40(24-27-11-3-1-4-12-27)25-28-13-5-2-6-14-28/h1-14,17-22,30,32-33,39,42H,15-16,23-26H2

InChI Key

KPMYLGVEJPVTGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

679.79

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.238

Distribution Coefficient, logD

4.237

Water Solubility, LogSw

-4.22

Polar Surface Area

110.888

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

23.70

2995-1360 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 2995-1360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2995-1360?
Check Price and Availability of 2995-1360, 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 2995-1360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2995-1360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2995-1360
  • 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 2995-1360 available by request