D440-0149 Screening compound: 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]sulfonyl}-4,6-dichlorophenol

D440-0149 Screening compound: 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]sulfonyl}-4,6-dichlorophenol
D440-0149 Screening compound: 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]sulfonyl}-4,6-dichlorophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound D440-0149
2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]sulfonyl}-4,6-dichlorophenol

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

D440-0149

Molecular Formula

C13H13Cl2N5O5S (C13 H13 Cl2 N5 O5 S)

Compound Name

2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]sulfonyl}-4,6-dichlorophenol

IUPAC name

2-{[4-(4-amino-125-oxadiazole-3-carbonyl)piperazin-1-yl]sulfonyl}-46-dichlorophenol

SMILES

Nc1nonc1C(N(CC1)CCN1S(c1cc(Cl)cc(Cl)c1O)(=O)=O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.25

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.600

Distribution Coefficient, logD

0.870

Water Solubility, LogSw

-2.60

Polar Surface Area

120.970

Acid Dissociation Constant (pKa)

6.76

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D440-0149 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D440-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D440-0149?
Check Price and Availability of D440-0149, 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 D440-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D440-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D440-0149
  • 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 D440-0149 available by request