V002-0036 Screening compound: 2-(3,4-dimethoxyphenyl)-1-{4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepan-1-yl}-1-ethanone

V002-0036 Screening compound: 2-(3,4-dimethoxyphenyl)-1-{4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepan-1-yl}-1-ethanone
V002-0036 Screening compound: 2-(3,4-dimethoxyphenyl)-1-{4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepan-1-yl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-0036
2-(3,4-dimethoxyphenyl)-1-{4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepan-1-yl}-1-ethanone

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

V002-0036

Molecular Formula

C27H30N6O4 (C27 H30 N6 O4)

Compound Name

2-(3,4-dimethoxyphenyl)-1-{4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepan-1-yl}-1-ethanone

IUPAC name

2-(34-dimethoxyphenyl)-1-{4-[6-(4-methoxyphenyl)-[124]triazolo[15-a]pyrimidin-7-yl]-14-diazepan-1-yl}ethan-1-one

SMILES

COc(cc1)ccc1-c(cnc1ncnn11)c1N(CCC1)CCN1C(Cc(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C27H30N6O4/c1-35-21-8-6-20(7-9-21)22-17-28-27-29-18-30-33(27)26(22)32-12-4-11-31(13-14-32)25(34)16-19-5-10-23(36-2)24(15-19)37-3/h5-10,15,17-18H,4,11-14,16H2,1-3H3

InChI Key

SRIWYPBAWAETPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19971504

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

502.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.062

Distribution Coefficient, logD

3.053

Water Solubility, LogSw

-3.14

Polar Surface Area

73.313

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

V002-0036 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V002-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-0036?
Check Price and Availability of V002-0036, 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 V002-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-0036
  • 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 V002-0036 available by request