V027-2716 Screening compound: 1,4-dimethyl-5-[4-(3-methylbutanamido)-2-[(2-methylpropyl)sulfamoyl]phenoxy]-1H-pyrazole-3-carboxylic acid

V027-2716 Screening compound: 1,4-dimethyl-5-[4-(3-methylbutanamido)-2-[(2-methylpropyl)sulfamoyl]phenoxy]-1H-pyrazole-3-carboxylic acid
V027-2716 Screening compound: 1,4-dimethyl-5-[4-(3-methylbutanamido)-2-[(2-methylpropyl)sulfamoyl]phenoxy]-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-2716
1,4-dimethyl-5-[4-(3-methylbutanamido)-2-[(2-methylpropyl)sulfamoyl]phenoxy]-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

V027-2716

Molecular Formula

C21H30N4O6S (C21 H30 N4 O6 S)

Compound Name

1,4-dimethyl-5-[4-(3-methylbutanamido)-2-[(2-methylpropyl)sulfamoyl]phenoxy]-1H-pyrazole-3-carboxylic acid

IUPAC name

14-dimethyl-5-[4-(3-methylbutanamido)-2-[(2-methylpropyl)sulfamoyl]phenoxy]-1H-pyrazole-3-carboxylic acid

SMILES

CC(C)CC(Nc(cc1)cc(S(NCC(C)C)(=O)=O)c1Oc1c(C)c(C(O)=O)nn1C)=O

InChI

InChI=1S/C21H30N4O6S/c1-12(2)9-18(26)23-15-7-8-16(17(10-15)32(29,30)22-11-13(3)4)31-20-14(5)19(21(27)28)24-25(20)6/h7-8,10,12-13,22H,9,11H2,1-6H3,(H,23,26)(H,27,28)

InChI Key

VHTBAAXUNZMEDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791310

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.674

Distribution Coefficient, logD

-0.039

Water Solubility, LogSw

-3.26

Polar Surface Area

115.209

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

V027-2716 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V027-2716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-2716?
Check Price and Availability of V027-2716, 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 V027-2716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-2716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-2716
  • 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 V027-2716 available by request