V008-1838 Screening compound: 5-[2-(cyclopropylsulfamoyl)-4-(thiophene-2-amido)phenoxy]-4-methyl-1-(propan-2-yl)-1H-pyrazole-3-carboxylic acid

V008-1838 Screening compound: 5-[2-(cyclopropylsulfamoyl)-4-(thiophene-2-amido)phenoxy]-4-methyl-1-(propan-2-yl)-1H-pyrazole-3-carboxylic acid
V008-1838 Screening compound: 5-[2-(cyclopropylsulfamoyl)-4-(thiophene-2-amido)phenoxy]-4-methyl-1-(propan-2-yl)-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-1838
5-[2-(cyclopropylsulfamoyl)-4-(thiophene-2-amido)phenoxy]-4-methyl-1-(propan-2-yl)-1H-pyrazole-3-carboxylic acid

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

V008-1838

Molecular Formula

C22H24N4O6S2 (C22 H24 N4 O6 S2)

Compound Name

5-[2-(cyclopropylsulfamoyl)-4-(thiophene-2-amido)phenoxy]-4-methyl-1-(propan-2-yl)-1H-pyrazole-3-carboxylic acid

IUPAC name

5-[2-(cyclopropylsulfamoyl)-4-(thiophene-2-amido)phenoxy]-4-methyl-1-(propan-2-yl)-1H-pyrazole-3-carboxylic acid

SMILES

CC(C)n1nc(C(O)=O)c(C)c1Oc(ccc(NC(c1cccs1)=O)c1)c1S(NC1CC1)(=O)=O

InChI

InChI=1S/C22H24N4O6S2/c1-12(2)26-21(13(3)19(24-26)22(28)29)32-16-9-8-15(23-20(27)17-5-4-10-33-17)11-18(16)34(30,31)25-14-6-7-14/h4-5,8-12,14,25H,6-7H2,1-3H3,(H,23,27)(H,28,29)

InChI Key

ROCIANIIROWWDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19788790

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

504.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.062

Distribution Coefficient, logD

0.349

Water Solubility, LogSw

-3.48

Polar Surface Area

116.350

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

V008-1838 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V008-1838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-1838?
Check Price and Availability of V008-1838, 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 V008-1838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-1838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-1838
  • 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 V008-1838 available by request