C050-0260 Screening compound: 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-chloro-3-nitrobenzoate

C050-0260 Screening compound: 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-chloro-3-nitrobenzoate
C050-0260 Screening compound: 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-chloro-3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C050-0260
5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-chloro-3-nitrobenzoate

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

C050-0260

Molecular Formula

C17H13ClN4O6S (C17 H13 ClN4 O6 S)

Compound Name

5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-chloro-3-nitrobenzoate

IUPAC name

5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 4-chloro-3-nitrobenzoate

SMILES

Cc(cc1)ccc1S(n(c(N)c1)nc1OC(c(cc1)cc([N+]([O-])=O)c1Cl)=O)(=O)=O

InChI

InChI=1S/C17H13ClN4O6S/c1-10-2-5-12(6-3-10)29(26,27)21-15(19)9-16(20-21)28-17(23)11-4-7-13(18)14(8-11)22(24)25/h2-9H,19H2,1H3

InChI Key

GNTPPXWMEQCHIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.83

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.863

Distribution Coefficient, logD

2.863

Water Solubility, LogSw

-3.64

Polar Surface Area

113.826

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C050-0260 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 C050-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C050-0260?
Check Price and Availability of C050-0260, 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 C050-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C050-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C050-0260
  • 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 C050-0260 available by request