5471-0141 Screening compound: 1-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]propyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate

5471-0141 Screening compound: 1-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]propyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate
5471-0141 Screening compound: 1-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]propyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5471-0141
1-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]propyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate

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

5471-0141

Molecular Formula

C21H16N4O7S (C21 H16 N4 O7 S)

Compound Name

1-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]propyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate

IUPAC name

1-[(6-nitro-13-benzothiazol-2-yl)carbamoyl]propyl 2-(23-dioxo-23-dihydro-1H-indol-1-yl)acetate

SMILES

CCC(C(Nc1nc(ccc([N+]([O-])=O)c2)c2s1)=O)OC(CN(c(cccc1)c1C1=O)C1=O)=O

InChI

InChI=1S/C21H16N4O7S/c1-2-15(19(28)23-21-22-13-8-7-11(25(30)31)9-16(13)33-21)32-17(26)10-24-14-6-4-3-5-12(14)18(27)20(24)29/h3-9,15H,2,10H2,1H3,(H,22,23,28)/t15-/m0/s1

InChI Key

YAOXOOONJKJJDA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03487920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.45

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.055

Distribution Coefficient, logD

3.054

Water Solubility, LogSw

-3.76

Polar Surface Area

115.067

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

5471-0141 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 5471-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5471-0141?
Check Price and Availability of 5471-0141, 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 5471-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5471-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5471-0141
  • 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 5471-0141 available by request