V013-9976 Screening compound: ethyl 3-{7-[4-(2,4-difluorobenzenesulfonyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate

V013-9976 Screening compound: ethyl 3-{7-[4-(2,4-difluorobenzenesulfonyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
V013-9976 Screening compound: ethyl 3-{7-[4-(2,4-difluorobenzenesulfonyl)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 V013-9976
ethyl 3-{7-[4-(2,4-difluorobenzenesulfonyl)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

V013-9976

Molecular Formula

C21H24F2N6O4S (C21 H24 F2 N6 O4 S)

Compound Name

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

IUPAC name

ethyl 3-{7-[4-(24-difluorobenzenesulfonyl)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)c1F)(=O)=O)=O

InChI

InChI=1S/C21H24F2N6O4S/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(22)12-17(18)23/h4,6,12-13H,3,5,7-11H2,1-2H3

InChI Key

KPJDPCVTKZEDRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960775

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

494.52

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

2.583

Distribution Coefficient, logD

2.554

Water Solubility, LogSw

-2.92

Polar Surface Area

86.253

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

V013-9976 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V013-9976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9976?
Check Price and Availability of V013-9976, 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 V013-9976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9976
  • 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 V013-9976 available by request