C050-0239 Screening compound: 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 2,4-dinitrobenzoate

C050-0239 Screening compound: 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 2,4-dinitrobenzoate
C050-0239 Screening compound: 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 2,4-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C050-0239
5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 2,4-dinitrobenzoate

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

C050-0239

Molecular Formula

C17H13N5O8S (C17 H13 N5 O8 S)

Compound Name

5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 2,4-dinitrobenzoate

IUPAC name

5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 24-dinitrobenzoate

SMILES

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

InChI

InChI=1S/C17H13N5O8S/c1-10-2-5-12(6-3-10)31(28,29)20-15(18)9-16(19-20)30-17(23)13-7-4-11(21(24)25)8-14(13)22(26)27/h2-9H,18H2,1H3

InChI Key

MMEJPPFBJDAEKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.39

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.658

Distribution Coefficient, logD

2.658

Water Solubility, LogSw

-3.44

Polar Surface Area

147.207

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with C050-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C050-0239?
Check Price and Availability of C050-0239, 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 C050-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C050-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C050-0239
  • 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 C050-0239 available by request