V027-4681 Screening compound: N-tert-butyl-2-{[4-methyl-1-(propan-2-yl)-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide

V027-4681 Screening compound: N-tert-butyl-2-{[4-methyl-1-(propan-2-yl)-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
V027-4681 Screening compound: N-tert-butyl-2-{[4-methyl-1-(propan-2-yl)-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4681
N-tert-butyl-2-{[4-methyl-1-(propan-2-yl)-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-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

V027-4681

Molecular Formula

C22H31N5O6S (C22 H31 N5 O6 S)

Compound Name

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

IUPAC name

n/a

SMILES

CC(C)n1nc(C(N2CCCC2)=O)c(C)c1Oc(ccc([N+]([O-])=O)c1)c1S(NC(C)(C)C)(=O)=O

InChI

InChI=1S/C22H31N5O6S/c1-14(2)26-21(15(3)19(23-26)20(28)25-11-7-8-12-25)33-17-10-9-16(27(29)30)13-18(17)34(31,32)24-22(4,5)6/h9-10,13-14,24H,7-8,11-12H2,1-6H3

InChI Key

VFXGLZRMLYWURZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19787065

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

493.58

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.461

Distribution Coefficient, logD

3.461

Water Solubility, LogSw

-3.95

Polar Surface Area

113.267

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

References: we are preparing a list of scientific research reports with V027-4681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4681?
Check Price and Availability of V027-4681, 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 V027-4681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4681
  • 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 V027-4681 available by request