V009-5877 Screening compound: 1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)-4-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane

V009-5877 Screening compound: 1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)-4-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane
V009-5877 Screening compound: 1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)-4-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5877
1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)-4-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane

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

V009-5877

Molecular Formula

C27H34N8O3 (C27 H34 N8 O3)

Compound Name

1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)-4-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane

IUPAC name

1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)-4-[6-(34-dimethoxyphenyl)-[124]triazolo[15-a]pyrimidin-7-yl]-14-diazepane

SMILES

CC(C)(C)c1nn(C)c(C(N(CCC2)CCN2c(n2ncnc2nc2)c2-c(cc2)cc(OC)c2OC)=O)c1

InChI

InChI=1S/C27H34N8O3/c1-27(2,3)23-15-20(32(4)31-23)25(36)34-11-7-10-33(12-13-34)24-19(16-28-26-29-17-30-35(24)26)18-8-9-21(37-5)22(14-18)38-6/h8-9,14-17H,7,10-13H2,1-6H3

InChI Key

XXPURCIGMRAOOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960865

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.009

Distribution Coefficient, logD

3.002

Water Solubility, LogSw

-3.10

Polar Surface Area

79.812

Acid Dissociation Constant (pKa)

25.17

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

V009-5877 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 V009-5877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5877?
Check Price and Availability of V009-5877, 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 V009-5877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5877
  • 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 V009-5877 available by request