V011-2155 Screening compound: ethyl 3-(7-{4-[4-(3-chloro-2-cyanophenoxy)benzenesulfonyl]piperazin-1-yl}-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate

V011-2155 Screening compound: ethyl 3-(7-{4-[4-(3-chloro-2-cyanophenoxy)benzenesulfonyl]piperazin-1-yl}-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
V011-2155 Screening compound: ethyl 3-(7-{4-[4-(3-chloro-2-cyanophenoxy)benzenesulfonyl]piperazin-1-yl}-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-2155
ethyl 3-(7-{4-[4-(3-chloro-2-cyanophenoxy)benzenesulfonyl]piperazin-1-yl}-5-methyl-[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

V011-2155

Molecular Formula

C28H28ClN7O5S (C28 H28 ClN7 O5 S)

Compound Name

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

IUPAC name

ethyl 3-(7-{4-[4-(3-chloro-2-cyanophenoxy)benzenesulfonyl]piperazin-1-yl}-5-methyl-[124]triazolo[15-a]pyrimidin-6-yl)propanoate

SMILES

CCOC(CCc(c(C)nc1ncnn11)c1N(CC1)CCN1S(c(cc1)ccc1Oc1cccc(Cl)c1C#N)(=O)=O)=O

InChI

InChI=1S/C28H28ClN7O5S/c1-3-40-26(37)12-11-22-19(2)33-28-31-18-32-36(28)27(22)34-13-15-35(16-14-34)42(38,39)21-9-7-20(8-10-21)41-25-6-4-5-24(29)23(25)17-30/h4-10,18H,3,11-16H2,1-2H3

InChI Key

ONRJDXWDBUEDLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961136

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

610.09

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.039

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.53

Polar Surface Area

110.143

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

V011-2155 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 V011-2155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-2155?
Check Price and Availability of V011-2155, 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 V011-2155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-2155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-2155
  • 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 V011-2155 available by request