Y205-0644 Screening compound: 5-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino}-5-oxopentanoic acid

Y205-0644 Screening compound: 5-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino}-5-oxopentanoic acid
Y205-0644 Screening compound: 5-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino}-5-oxopentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-0644
5-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino}-5-oxopentanoic acid

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

Y205-0644

Molecular Formula

C14H13N3O5S (C14 H13 N3 O5 S)

Compound Name

5-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino}-5-oxopentanoic acid

IUPAC name

4-{[4-(3-nitrophenyl)-13-thiazol-2-yl]carbamoyl}butanoic acid

SMILES

[O-][N+](c1cccc(-c2csc(NC(CCCC(O)=O)=O)n2)c1)=O

InChI

InChI=1S/C14H13N3O5S/c18-12(5-2-6-13(19)20)16-14-15-11(8-23-14)9-3-1-4-10(7-9)17(21)22/h1,3-4,7-8H,2,5-6H2,(H,19,20)(H,15,16,18)

InChI Key

XIDKJXMAZDFIMG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.170

Distribution Coefficient, logD

-0.427

Water Solubility, LogSw

-2.88

Polar Surface Area

94.928

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

Y205-0644 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 Y205-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-0644?
Check Price and Availability of Y205-0644, 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 Y205-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-0644
  • 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 Y205-0644 available by request