V027-4409 Screening compound: 2-{[1-tert-butyl-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-N-(2-methoxyethyl)-5-nitrobenzene-1-sulfonamide

V027-4409 Screening compound: 2-{[1-tert-butyl-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-N-(2-methoxyethyl)-5-nitrobenzene-1-sulfonamide
V027-4409 Screening compound: 2-{[1-tert-butyl-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-N-(2-methoxyethyl)-5-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4409
2-{[1-tert-butyl-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-N-(2-methoxyethyl)-5-nitrobenzene-1-sulfonamide

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

V027-4409

Molecular Formula

C22H31N5O8S (C22 H31 N5 O8 S)

Compound Name

2-{[1-tert-butyl-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-N-(2-methoxyethyl)-5-nitrobenzene-1-sulfonamide

IUPAC name

2-{[1-tert-butyl-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-N-(2-methoxyethyl)-5-nitrobenzene-1-sulfonamide

SMILES

CC(C)(C)n1nc(C(N2CCOCC2)=O)c(C)c1Oc(ccc([N+]([O-])=O)c1)c1S(NCCOC)(=O)=O

InChI

InChI=1S/C22H31N5O8S/c1-15-19(20(28)25-9-12-34-13-10-25)24-26(22(2,3)4)21(15)35-17-7-6-16(27(29)30)14-18(17)36(31,32)23-8-11-33-5/h6-7,14,23H,8-13H2,1-5H3

InChI Key

BCHWPXLSRSALHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19790698

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

525.58

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.901

Distribution Coefficient, logD

1.901

Water Solubility, LogSw

-2.84

Polar Surface Area

130.319

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

V027-4409 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 V027-4409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4409?
Check Price and Availability of V027-4409, 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 V027-4409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4409
  • 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 V027-4409 available by request