8005-4997 Screening compound: N-{1-benzyl-2-[3-(4-chlorophenyl)-2-(3,5-dinitrobenzoyl)-1,2-diaziran-1-yl]-2-oxoethyl}-4-methyl-1-benzenesulfonamide

8005-4997 Screening compound: N-{1-benzyl-2-[3-(4-chlorophenyl)-2-(3,5-dinitrobenzoyl)-1,2-diaziran-1-yl]-2-oxoethyl}-4-methyl-1-benzenesulfonamide
8005-4997 Screening compound: N-{1-benzyl-2-[3-(4-chlorophenyl)-2-(3,5-dinitrobenzoyl)-1,2-diaziran-1-yl]-2-oxoethyl}-4-methyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4997
N-{1-benzyl-2-[3-(4-chlorophenyl)-2-(3,5-dinitrobenzoyl)-1,2-diaziran-1-yl]-2-oxoethyl}-4-methyl-1-benzenesulfonamide

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

8005-4997

Molecular Formula

C30H24ClN5O8S (C30 H24 ClN5 O8 S)

Compound Name

N-{1-benzyl-2-[3-(4-chlorophenyl)-2-(3,5-dinitrobenzoyl)-1,2-diaziran-1-yl]-2-oxoethyl}-4-methyl-1-benzenesulfonamide

IUPAC name

N-{1-[3-(4-chlorophenyl)-2-(35-dinitrobenzoyl)diaziridin-1-yl]-1-oxo-3-phenylpropan-2-yl}-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(NC(Cc1ccccc1)C(N(C1c(cc2)ccc2Cl)N1C(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O)=O)(=O)=O

InChI

InChI=1S/C30H24ClN5O8S/c1-19-7-13-26(14-8-19)45(43,44)32-27(15-20-5-3-2-4-6-20)30(38)34-28(21-9-11-23(31)12-10-21)33(34)29(37)22-16-24(35(39)40)18-25(17-22)36(41)42/h2-14,16-18,27-28,32H,15H2,1H3

InChI Key

RGSGDSLPOXYJLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00820128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

650.07

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

5.968

Distribution Coefficient, logD

5.967

Water Solubility, LogSw

-6.23

Polar Surface Area

142.386

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

-6.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.33

8005-4997 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 8005-4997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4997?
Check Price and Availability of 8005-4997, 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 8005-4997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4997
  • 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 8005-4997 available by request