V031-1289 Screening compound: ethyl 2-{7-[4-(dimethylsulfamoyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate

V031-1289 Screening compound: ethyl 2-{7-[4-(dimethylsulfamoyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate
V031-1289 Screening compound: ethyl 2-{7-[4-(dimethylsulfamoyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1289
ethyl 2-{7-[4-(dimethylsulfamoyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate

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

V031-1289

Molecular Formula

C16H25N7O4S (C16 H25 N7 O4 S)

Compound Name

ethyl 2-{7-[4-(dimethylsulfamoyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate

IUPAC name

ethyl 2-{7-[4-(dimethylsulfamoyl)piperazin-1-yl]-5-methyl-[124]triazolo[15-a]pyrimidin-6-yl}acetate

SMILES

CCOC(Cc(c(C)nc1ncnn11)c1N(CC1)CCN1S(N(C)C)(=O)=O)=O

InChI

InChI=1S/C16H25N7O4S/c1-5-27-14(24)10-13-12(2)19-16-17-11-18-23(16)15(13)21-6-8-22(9-7-21)28(25,26)20(3)4/h11H,5-10H2,1-4H3

InChI Key

VOULUURRKGSLCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19959755

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

411.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.350

Distribution Coefficient, logD

0.262

Water Solubility, LogSw

-1.62

Polar Surface Area

90.611

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

V031-1289 in Drug Discovery

Included in Screening Libraries

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V031-1289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1289?
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What is the minimum amount of V031-1289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1289
  • 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 V031-1289 available by request