V008-3321 Screening compound: 5-{2-[(2-methoxyethyl)sulfamoyl]-4-nitrophenoxy}-4-methyl-1-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide

V008-3321 Screening compound: 5-{2-[(2-methoxyethyl)sulfamoyl]-4-nitrophenoxy}-4-methyl-1-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
V008-3321 Screening compound: 5-{2-[(2-methoxyethyl)sulfamoyl]-4-nitrophenoxy}-4-methyl-1-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3321
5-{2-[(2-methoxyethyl)sulfamoyl]-4-nitrophenoxy}-4-methyl-1-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-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

V008-3321

Molecular Formula

C26H31N5O8S (C26 H31 N5 O8 S)

Compound Name

5-{2-[(2-methoxyethyl)sulfamoyl]-4-nitrophenoxy}-4-methyl-1-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide

IUPAC name

5-{2-[(2-methoxyethyl)sulfamoyl]-4-nitrophenoxy}-4-methyl-1-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide

SMILES

Cc(c(C(NCC1OCCC1)=O)nn1-c2ccc(C)cc2)c1Oc(ccc([N+]([O-])=O)c1)c1S(NCCOC)(=O)=O

InChI

InChI=1S/C26H31N5O8S/c1-17-6-8-19(9-7-17)30-26(18(2)24(29-30)25(32)27-16-21-5-4-13-38-21)39-22-11-10-20(31(33)34)15-23(22)40(35,36)28-12-14-37-3/h6-11,15,21,28H,4-5,12-14,16H2,1-3H3,(H,27,32)/t21-/m1/s1

InChI Key

KHPBLLOECFUVNT-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19791434

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

573.63

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.026

Distribution Coefficient, logD

3.026

Water Solubility, LogSw

-3.54

Polar Surface Area

137.863

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

V008-3321 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 V008-3321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3321?
Check Price and Availability of V008-3321, 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 V008-3321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3321
  • 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 V008-3321 available by request