V030-6734 Screening compound: 1-ethyl-N-[(furan-2-yl)methyl]-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-1H-pyrazole-3-carboxamide

V030-6734 Screening compound: 1-ethyl-N-[(furan-2-yl)methyl]-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-1H-pyrazole-3-carboxamide
V030-6734 Screening compound: 1-ethyl-N-[(furan-2-yl)methyl]-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6734
1-ethyl-N-[(furan-2-yl)methyl]-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-1H-pyrazole-3-carboxamide

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

V030-6734

Molecular Formula

C22H25N5O8S (C22 H25 N5 O8 S)

Compound Name

1-ethyl-N-[(furan-2-yl)methyl]-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-1H-pyrazole-3-carboxamide

IUPAC name

1-ethyl-N-[(furan-2-yl)methyl]-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-1H-pyrazole-3-carboxamide

SMILES

CCn1nc(C(NCc2ccco2)=O)c(C)c1Oc(ccc([N+]([O-])=O)c1)c1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C22H25N5O8S/c1-3-26-22(15(2)20(24-26)21(28)23-14-17-5-4-10-34-17)35-18-7-6-16(27(29)30)13-19(18)36(31,32)25-8-11-33-12-9-25/h4-7,10,13H,3,8-9,11-12,14H2,1-2H3,(H,23,28)

InChI Key

MXQCEYUQGGNMPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19787089

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

519.54

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.459

Distribution Coefficient, logD

2.459

Water Solubility, LogSw

-2.93

Polar Surface Area

126.224

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

V030-6734 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 V030-6734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6734?
Check Price and Availability of V030-6734, 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 V030-6734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6734
  • 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 V030-6734 available by request