V003-9875 Screening compound: 5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(4-methoxybenzamido)phenoxy}-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid

V003-9875 Screening compound: 5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(4-methoxybenzamido)phenoxy}-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
V003-9875 Screening compound: 5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(4-methoxybenzamido)phenoxy}-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9875
5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(4-methoxybenzamido)phenoxy}-4-methyl-1-phenyl-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

V003-9875

Molecular Formula

C31H33N5O7S (C31 H33 N5 O7 S)

Compound Name

5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(4-methoxybenzamido)phenoxy}-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid

IUPAC name

5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(4-methoxybenzamido)phenoxy}-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid

SMILES

CCN(CC1)CCN1S(c(cc(cc1)NC(c(cc2)ccc2OC)=O)c1Oc1c(C)c(C(O)=O)nn1-c1ccccc1)(=O)=O

InChI

InChI=1S/C31H33N5O7S/c1-4-34-16-18-35(19-17-34)44(40,41)27-20-23(32-29(37)22-10-13-25(42-3)14-11-22)12-15-26(27)43-30-21(2)28(31(38)39)33-36(30)24-8-6-5-7-9-24/h5-15,20H,4,16-19H2,1-3H3,(H,32,37)(H,38,39)

InChI Key

POOXBMUJZVHXLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791860

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

619.7

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.607

Distribution Coefficient, logD

-0.909

Water Solubility, LogSw

-3.96

Polar Surface Area

115.491

Acid Dissociation Constant (pKa)

2.88

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

References: we are preparing a list of scientific research reports with V003-9875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9875?
Check Price and Availability of V003-9875, 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 V003-9875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9875
  • 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 V003-9875 available by request