V008-3319 Screening compound: 4-{1-tert-butyl-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carbonyl}morpholine

V008-3319 Screening compound: 4-{1-tert-butyl-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carbonyl}morpholine
V008-3319 Screening compound: 4-{1-tert-butyl-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carbonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3319
4-{1-tert-butyl-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carbonyl}morpholine

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

V008-3319

Molecular Formula

C23H31N5O7S (C23 H31 N5 O7 S)

Compound Name

4-{1-tert-butyl-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carbonyl}morpholine

IUPAC name

4-{1-tert-butyl-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carbonyl}morpholine

SMILES

CC(C)(C)n1nc(C(N2CCOCC2)=O)c(C)c1Oc(ccc([N+]([O-])=O)c1)c1S(N1CCCC1)(=O)=O

InChI

InChI=1S/C23H31N5O7S/c1-16-20(21(29)25-11-13-34-14-12-25)24-27(23(2,3)4)22(16)35-18-8-7-17(28(30)31)15-19(18)36(32,33)26-9-5-6-10-26/h7-8,15H,5-6,9-14H2,1-4H3

InChI Key

XDQJUIZMPXHRAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19787272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.59

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.567

Distribution Coefficient, logD

2.567

Water Solubility, LogSw

-2.90

Polar Surface Area

112.182

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

References: we are preparing a list of scientific research reports with V008-3319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3319?
Check Price and Availability of V008-3319, 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 V008-3319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3319
  • 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 V008-3319 available by request