V003-9818 Screening compound: 5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-1,4-dimethyl-N-propyl-1H-pyrazole-3-carboxamide

V003-9818 Screening compound: 5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-1,4-dimethyl-N-propyl-1H-pyrazole-3-carboxamide
V003-9818 Screening compound: 5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-1,4-dimethyl-N-propyl-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9818
5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-1,4-dimethyl-N-propyl-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

V003-9818

Molecular Formula

C19H27N5O6S (C19 H27 N5 O6 S)

Compound Name

5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-1,4-dimethyl-N-propyl-1H-pyrazole-3-carboxamide

IUPAC name

5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-14-dimethyl-N-propyl-1H-pyrazole-3-carboxamide

SMILES

CCCNC(c1nn(C)c(Oc(ccc([N+]([O-])=O)c2)c2S(NC(C)CC)(=O)=O)c1C)=O

InChI

InChI=1S/C19H27N5O6S/c1-6-10-20-18(25)17-13(4)19(23(5)21-17)30-15-9-8-14(24(26)27)11-16(15)31(28,29)22-12(3)7-2/h8-9,11-12,22H,6-7,10H2,1-5H3,(H,20,25)/t12-/m0/s1

InChI Key

SCMZAEVSTPAKDD-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD19789790

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.479

Distribution Coefficient, logD

2.478

Water Solubility, LogSw

-3.05

Polar Surface Area

121.214

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

References: we are preparing a list of scientific research reports with V003-9818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9818?
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What is the minimum amount of V003-9818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9818
  • 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 V003-9818 available by request