V030-1688 Screening compound: 1-tert-butyl-4-methyl-5-{2-[(4-methylpiperazin-1-yl)sulfonyl]-4-[4-(trifluoromethyl)benzamido]phenoxy}-1H-pyrazole-3-carboxylic acid

V030-1688 Screening compound: 1-tert-butyl-4-methyl-5-{2-[(4-methylpiperazin-1-yl)sulfonyl]-4-[4-(trifluoromethyl)benzamido]phenoxy}-1H-pyrazole-3-carboxylic acid
V030-1688 Screening compound: 1-tert-butyl-4-methyl-5-{2-[(4-methylpiperazin-1-yl)sulfonyl]-4-[4-(trifluoromethyl)benzamido]phenoxy}-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-1688
1-tert-butyl-4-methyl-5-{2-[(4-methylpiperazin-1-yl)sulfonyl]-4-[4-(trifluoromethyl)benzamido]phenoxy}-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

V030-1688

Molecular Formula

C28H32F3N5O6S (C28 H32 F3 N5 O6 S)

Compound Name

1-tert-butyl-4-methyl-5-{2-[(4-methylpiperazin-1-yl)sulfonyl]-4-[4-(trifluoromethyl)benzamido]phenoxy}-1H-pyrazole-3-carboxylic acid

IUPAC name

1-tert-butyl-4-methyl-5-{2-[(4-methylpiperazin-1-yl)sulfonyl]-4-[4-(trifluoromethyl)benzamido]phenoxy}-1H-pyrazole-3-carboxylic acid

SMILES

CC(C)(C)n1nc(C(O)=O)c(C)c1Oc(ccc(NC(c1ccc(C(F)(F)F)cc1)=O)c1)c1S(N1CCN(C)CC1)(=O)=O

InChI

InChI=1S/C28H32F3N5O6S/c1-17-23(26(38)39)33-36(27(2,3)4)25(17)42-21-11-10-20(16-22(21)43(40,41)35-14-12-34(5)13-15-35)32-24(37)18-6-8-19(9-7-18)28(29,30)31/h6-11,16H,12-15H2,1-5H3,(H,32,37)(H,38,39)

InChI Key

FDEBSGAICOIYKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499082

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

623.65

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.721

Distribution Coefficient, logD

1.008

Water Solubility, LogSw

-4.14

Polar Surface Area

108.854

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

V030-1688 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V030-1688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-1688?
Check Price and Availability of V030-1688, 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 V030-1688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-1688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-1688
  • 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 V030-1688 available by request