V002-8846 Screening compound: ethyl 3-{7-[4-(2-chloro-4-fluorobenzenesulfonyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate

V002-8846 Screening compound: ethyl 3-{7-[4-(2-chloro-4-fluorobenzenesulfonyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
V002-8846 Screening compound: ethyl 3-{7-[4-(2-chloro-4-fluorobenzenesulfonyl)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 V002-8846
ethyl 3-{7-[4-(2-chloro-4-fluorobenzenesulfonyl)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

V002-8846

Molecular Formula

C21H24ClFN6O4S (C21 H24 ClFN6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CCc(c(C)nc1ncnn11)c1N(CC1)CCN1S(c(ccc(F)c1)c1Cl)(=O)=O)=O

InChI

InChI=1S/C21H24ClFN6O4S/c1-3-33-19(30)7-5-16-14(2)26-21-24-13-25-29(21)20(16)27-8-10-28(11-9-27)34(31,32)18-6-4-15(23)12-17(18)22/h4,6,12-13H,3,5,7-11H2,1-2H3

InChI Key

IDQIXINMJQSPOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960826

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

510.98

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.031

Distribution Coefficient, logD

3.001

Water Solubility, LogSw

-3.40

Polar Surface Area

86.253

Acid Dissociation Constant (pKa)

20.66

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with V002-8846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-8846?
Check Price and Availability of V002-8846, 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 V002-8846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-8846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-8846
  • 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 V002-8846 available by request