Y032-0585 Screening compound: 4,5-dimethoxy-2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Y032-0585 Screening compound: 4,5-dimethoxy-2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Y032-0585 Screening compound: 4,5-dimethoxy-2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-0585
4,5-dimethoxy-2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)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

Y032-0585

Molecular Formula

C16H12N4O7S (C16 H12 N4 O7 S)

Compound Name

4,5-dimethoxy-2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

IUPAC name

45-dimethoxy-2-nitro-N-(6-nitro-13-benzothiazol-2-yl)benzamide

SMILES

COc(c(OC)c1)cc(C(Nc2nc(ccc([N+]([O-])=O)c3)c3s2)=O)c1[N+]([O-])=O

InChI

InChI=1S/C16H12N4O7S/c1-26-12-6-9(11(20(24)25)7-13(12)27-2)15(21)18-16-17-10-4-3-8(19(22)23)5-14(10)28-16/h3-7H,1-2H3,(H,17,18,21)

InChI Key

AVAMKYZBZWNDTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02006459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.36

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

3.226

Water Solubility, LogSw

-3.82

Polar Surface Area

114.814

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

Y032-0585 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 Y032-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-0585?
Check Price and Availability of Y032-0585, 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 Y032-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-0585
  • 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 Y032-0585 available by request