V007-0177 Screening compound: 1-tert-butyl-5-{4-[4-methoxy-3-(trifluoromethyl)benzamido]-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid

V007-0177 Screening compound: 1-tert-butyl-5-{4-[4-methoxy-3-(trifluoromethyl)benzamido]-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
V007-0177 Screening compound: 1-tert-butyl-5-{4-[4-methoxy-3-(trifluoromethyl)benzamido]-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-0177
1-tert-butyl-5-{4-[4-methoxy-3-(trifluoromethyl)benzamido]-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-4-methyl-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

V007-0177

Molecular Formula

C27H31F3N4O8S (C27 H31 F3 N4 O8 S)

Compound Name

1-tert-butyl-5-{4-[4-methoxy-3-(trifluoromethyl)benzamido]-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid

IUPAC name

1-tert-butyl-5-{4-[4-methoxy-3-(trifluoromethyl)benzamido]-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid

SMILES

CC(C)(C)n1nc(C(O)=O)c(C)c1Oc(ccc(NC(c(cc1)cc(C(F)(F)F)c1OC)=O)c1)c1S(NCCOC)(=O)=O

InChI

InChI=1S/C27H31F3N4O8S/c1-15-22(25(36)37)33-34(26(2,3)4)24(15)42-20-10-8-17(14-21(20)43(38,39)31-11-12-40-5)32-23(35)16-7-9-19(41-6)18(13-16)27(28,29)30/h7-10,13-14,31H,11-12H2,1-6H3,(H,32,35)(H,36,37)

InChI Key

OCSLBKLWQGWRQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19786342

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

628.63

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.685

Distribution Coefficient, logD

0.972

Water Solubility, LogSw

-4.15

Polar Surface Area

131.511

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V007-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-0177?
Check Price and Availability of V007-0177, 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 V007-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-0177
  • 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 V007-0177 available by request