C263-0051 Screening compound: 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate

C263-0051 Screening compound: 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate
C263-0051 Screening compound: 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C263-0051
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate

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

C263-0051

Molecular Formula

C21H21IN2O4S (C21 H21 IN2 O4 S)

Compound Name

4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate

IUPAC name

4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate

SMILES

CC(C)(C)n1nc(C)c(S(c2ccccc2)(=O)=O)c1OC(c(cccc1)c1I)=O

InChI

InChI=1S/C21H21IN2O4S/c1-14-18(29(26,27)15-10-6-5-7-11-15)19(24(23-14)21(2,3)4)28-20(25)16-12-8-9-13-17(16)22/h5-13H,1-4H3

InChI Key

CSVUWSIRIONOIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04218986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.105

Distribution Coefficient, logD

4.105

Water Solubility, LogSw

-4.37

Polar Surface Area

65.018

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C263-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C263-0051?
Check Price and Availability of C263-0051, 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 C263-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C263-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C263-0051
  • 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 C263-0051 available by request