V002-8592 Screening compound: ethyl 2-[7-(4-{[(2-methoxyphenyl)methyl]carbamoyl}piperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

V002-8592 Screening compound: ethyl 2-[7-(4-{[(2-methoxyphenyl)methyl]carbamoyl}piperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
V002-8592 Screening compound: ethyl 2-[7-(4-{[(2-methoxyphenyl)methyl]carbamoyl}piperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-8592
ethyl 2-[7-(4-{[(2-methoxyphenyl)methyl]carbamoyl}piperazin-1-yl)-5-methyl-[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

V002-8592

Molecular Formula

C23H29N7O4 (C23 H29 N7 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(Cc(c(C)nc1ncnn11)c1N(CC1)CCN1C(NCc(cccc1)c1OC)=O)=O

InChI

InChI=1S/C23H29N7O4/c1-4-34-20(31)13-18-16(2)27-22-25-15-26-30(22)21(18)28-9-11-29(12-10-28)23(32)24-14-17-7-5-6-8-19(17)33-3/h5-8,15H,4,9-14H2,1-3H3,(H,24,32)

InChI Key

YXOLUYDZIIQZBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961229

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.053

Distribution Coefficient, logD

1.966

Water Solubility, LogSw

-2.44

Polar Surface Area

88.963

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

V002-8592 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 V002-8592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-8592?
Check Price and Availability of V002-8592, 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 V002-8592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-8592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-8592
  • 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 V002-8592 available by request