Y032-0580 Screening compound: 4-(tert-butyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Y032-0580 Screening compound: 4-(tert-butyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Y032-0580 Screening compound: 4-(tert-butyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-0580
4-(tert-butyl)-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

Y032-0580

Molecular Formula

C18H17N3O3S (C18 H17 N3 O3 S)

Compound Name

4-(tert-butyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

IUPAC name

4-tert-butyl-N-(6-nitro-13-benzothiazol-2-yl)benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1nc(ccc([N+]([O-])=O)c2)c2s1)=O

InChI

InChI=1S/C18H17N3O3S/c1-18(2,3)12-6-4-11(5-7-12)16(22)20-17-19-14-9-8-13(21(23)24)10-15(14)25-17/h4-10H,1-3H3,(H,19,20,22)

InChI Key

CFYGOZKZPFLAGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02006448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.577

Distribution Coefficient, logD

5.574

Water Solubility, LogSw

-5.41

Polar Surface Area

66.472

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

Y032-0580 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 Y032-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-0580?
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What is the minimum amount of Y032-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-0580
  • 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 Y032-0580 available by request