C050-0261 Screening compound: 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 3,4-dimethylbenzoate

C050-0261 Screening compound: 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 3,4-dimethylbenzoate
C050-0261 Screening compound: 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 3,4-dimethylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C050-0261
5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 3,4-dimethylbenzoate

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

C050-0261

Molecular Formula

C19H19N3O4S (C19 H19 N3 O4 S)

Compound Name

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

IUPAC name

5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 34-dimethylbenzoate

SMILES

Cc(cc1)ccc1S(n(c(N)c1)nc1OC(c1cc(C)c(C)cc1)=O)(=O)=O

InChI

InChI=1S/C19H19N3O4S/c1-12-4-8-16(9-5-12)27(24,25)22-17(20)11-18(21-22)26-19(23)15-7-6-13(2)14(3)10-15/h4-11H,20H2,1-3H3

InChI Key

QRDVHDGCPXCGOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.634

Distribution Coefficient, logD

3.634

Water Solubility, LogSw

-3.99

Polar Surface Area

80.745

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with C050-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C050-0261?
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What is the minimum amount of C050-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C050-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C050-0261
  • 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 C050-0261 available by request