V004-0342 Screening compound: ethyl 3-(5-methyl-7-{4-[4-(trifluoromethoxy)benzenesulfonyl]piperazin-1-yl}-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate

V004-0342 Screening compound: ethyl 3-(5-methyl-7-{4-[4-(trifluoromethoxy)benzenesulfonyl]piperazin-1-yl}-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
V004-0342 Screening compound: ethyl 3-(5-methyl-7-{4-[4-(trifluoromethoxy)benzenesulfonyl]piperazin-1-yl}-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0342
ethyl 3-(5-methyl-7-{4-[4-(trifluoromethoxy)benzenesulfonyl]piperazin-1-yl}-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate

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

V004-0342

Molecular Formula

C22H25F3N6O5S (C22 H25 F3 N6 O5 S)

Compound Name

ethyl 3-(5-methyl-7-{4-[4-(trifluoromethoxy)benzenesulfonyl]piperazin-1-yl}-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate

IUPAC name

ethyl 3-(5-methyl-7-{4-[4-(trifluoromethoxy)benzenesulfonyl]piperazin-1-yl}-[124]triazolo[15-a]pyrimidin-6-yl)propanoate

SMILES

CCOC(CCc(c(C)nc1ncnn11)c1N(CC1)CCN1S(c(cc1)ccc1OC(F)(F)F)(=O)=O)=O

InChI

InChI=1S/C22H25F3N6O5S/c1-3-35-19(32)9-8-18-15(2)28-21-26-14-27-31(21)20(18)29-10-12-30(13-11-29)37(33,34)17-6-4-16(5-7-17)36-22(23,24)25/h4-7,14H,3,8-13H2,1-2H3

InChI Key

URXPMFWWIRXBDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960773

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

542.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.734

Distribution Coefficient, logD

3.704

Water Solubility, LogSw

-4.04

Polar Surface Area

92.189

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with V004-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0342?
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What is the minimum amount of V004-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0342
  • 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 V004-0342 available by request