V026-5564 Screening compound: 1-tert-butyl-5-[4-(2-fluorobenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid

V026-5564 Screening compound: 1-tert-butyl-5-[4-(2-fluorobenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
V026-5564 Screening compound: 1-tert-butyl-5-[4-(2-fluorobenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5564
1-tert-butyl-5-[4-(2-fluorobenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid

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

V026-5564

Molecular Formula

C26H29FN4O7S (C26 H29 FN4 O7 S)

Compound Name

1-tert-butyl-5-[4-(2-fluorobenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid

IUPAC name

1-tert-butyl-5-[4-(2-fluorobenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid

SMILES

CC(C)(C)n1nc(C(O)=O)c(C)c1Oc(ccc(NC(c(cccc1)c1F)=O)c1)c1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C26H29FN4O7S/c1-16-22(25(33)34)29-31(26(2,3)4)24(16)38-20-10-9-17(28-23(32)18-7-5-6-8-19(18)27)15-21(20)39(35,36)30-11-13-37-14-12-30/h5-10,15H,11-14H2,1-4H3,(H,28,32)(H,33,34)

InChI Key

JGPLCNADVBJWSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19789563

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

560.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.938

Distribution Coefficient, logD

0.225

Water Solubility, LogSw

-3.58

Polar Surface Area

113.286

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

V026-5564 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 V026-5564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5564?
Check Price and Availability of V026-5564, 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 V026-5564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5564
  • 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 V026-5564 available by request