0467-0862 Screening compound: 2-[(2-acetamido-4-nitro-1,3-thiazol-5-yl)sulfanyl]acetic acid

0467-0862 Screening compound: 2-[(2-acetamido-4-nitro-1,3-thiazol-5-yl)sulfanyl]acetic acid
0467-0862 Screening compound: 2-[(2-acetamido-4-nitro-1,3-thiazol-5-yl)sulfanyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0467-0862
2-[(2-acetamido-4-nitro-1,3-thiazol-5-yl)sulfanyl]acetic 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

0467-0862

Molecular Formula

C7H7N3O5S2 (C7 H7 N3 O5 S2)

Compound Name

2-[(2-acetamido-4-nitro-1,3-thiazol-5-yl)sulfanyl]acetic acid

IUPAC name

2-[(2-acetamido-4-nitro-13-thiazol-5-yl)sulfanyl]acetic acid

SMILES

CC(Nc1nc([N+]([O-])=O)c(SCC(O)=O)s1)=O

InChI

InChI=1S/C7H7N3O5S2/c1-3(11)8-7-9-5(10(14)15)6(17-7)16-2-4(12)13/h2H2,1H3,(H,12,13)(H,8,9,11)

InChI Key

CDYLFJCNVMAVML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00986558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.28

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.725

Distribution Coefficient, logD

-2.588

Water Solubility, LogSw

-1.76

Polar Surface Area

95.245

Acid Dissociation Constant (pKa)

4.09

Base Dissociation Constant (pKb)

-7.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

0467-0862 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0467-0862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0467-0862?
Check Price and Availability of 0467-0862, 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 0467-0862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0467-0862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0467-0862
  • 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 0467-0862 available by request