V009-5818 Screening compound: ethyl 2-{5-methyl-7-[4-(4-nitrobenzenesulfonyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate

V009-5818 Screening compound: ethyl 2-{5-methyl-7-[4-(4-nitrobenzenesulfonyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate
V009-5818 Screening compound: ethyl 2-{5-methyl-7-[4-(4-nitrobenzenesulfonyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5818
ethyl 2-{5-methyl-7-[4-(4-nitrobenzenesulfonyl)piperazin-1-yl]-[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

V009-5818

Molecular Formula

C20H23N7O6S (C20 H23 N7 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(Cc(c(C)nc1ncnn11)c1N(CC1)CCN1S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)=O

InChI

InChI=1S/C20H23N7O6S/c1-3-33-18(28)12-17-14(2)23-20-21-13-22-26(20)19(17)24-8-10-25(11-9-24)34(31,32)16-6-4-15(5-7-16)27(29)30/h4-7,13H,3,8-12H2,1-2H3

InChI Key

PWEILELRXGAVSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961128

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.51

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.041

Distribution Coefficient, logD

1.954

Water Solubility, LogSw

-2.55

Polar Surface Area

119.634

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V009-5818 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V009-5818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5818?
Check Price and Availability of V009-5818, 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 V009-5818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5818
  • 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 V009-5818 available by request