V027-3858 Screening compound: 5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-(2,3-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid

V027-3858 Screening compound: 5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-(2,3-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
V027-3858 Screening compound: 5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-(2,3-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-3858
5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-(2,3-dimethylphenyl)-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

V027-3858

Molecular Formula

C29H36N4O7S (C29 H36 N4 O7 S)

Compound Name

5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-(2,3-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid

IUPAC name

5-[4-(33-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-(23-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid

SMILES

CC(C)(C)CC(Nc(cc1)cc(S(N2CCOCC2)(=O)=O)c1Oc1c(C)c(C(O)=O)nn1-c1c(C)c(C)ccc1)=O

InChI

InChI=1S/C29H36N4O7S/c1-18-8-7-9-22(19(18)2)33-27(20(3)26(31-33)28(35)36)40-23-11-10-21(30-25(34)17-29(4,5)6)16-24(23)41(37,38)32-12-14-39-15-13-32/h7-11,16H,12-15,17H2,1-6H3,(H,30,34)(H,35,36)

InChI Key

BQIPMYPXRNGUMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19788369

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

584.69

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.634

Distribution Coefficient, logD

0.118

Water Solubility, LogSw

-4.41

Polar Surface Area

112.076

Acid Dissociation Constant (pKa)

2.88

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with V027-3858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-3858?
Check Price and Availability of V027-3858, 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 V027-3858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-3858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-3858
  • 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 V027-3858 available by request