V031-1338 Screening compound: benzyl 4-(6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl)tetrahydro-1(2H)-pyrazinecarboxylate

V031-1338 Screening compound: benzyl 4-(6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl)tetrahydro-1(2H)-pyrazinecarboxylate
V031-1338 Screening compound: benzyl 4-(6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl)tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1338
benzyl 4-(6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl)tetrahydro-1(2H)-pyrazinecarboxylate

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

V031-1338

Molecular Formula

C20H22N6O2 (C20 H22 N6 O2)

Compound Name

benzyl 4-(6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl)tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

benzyl 4-{181012-tetraazatricyclo[7.3.0.0^{37}]dodeca-27911-tetraen-2-yl}piperazine-1-carboxylate

SMILES

O=C(N(CC1)CCN1c1c(CCC2)c2nc2ncnn12)OCc1ccccc1

InChI

InChI=1S/C20H22N6O2/c27-20(28-13-15-5-2-1-3-6-15)25-11-9-24(10-12-25)18-16-7-4-8-17(16)23-19-21-14-22-26(18)19/h1-3,5-6,14H,4,7-13H2

InChI Key

OXEGIDLEFAWNHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19959662

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.826

Distribution Coefficient, logD

2.826

Water Solubility, LogSw

-3.10

Polar Surface Area

62.880

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V031-1338 in Drug Discovery

Included in Screening Libraries

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

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V031-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1338?
Check Price and Availability of V031-1338, 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 V031-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1338
  • 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 V031-1338 available by request