V004-0404 Screening compound: 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-[4-(trifluoromethoxy)benzoyl]-1,4-diazepane

V004-0404 Screening compound: 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-[4-(trifluoromethoxy)benzoyl]-1,4-diazepane
V004-0404 Screening compound: 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-[4-(trifluoromethoxy)benzoyl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0404
1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-[4-(trifluoromethoxy)benzoyl]-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

V004-0404

Molecular Formula

C25H23F3N6O3 (C25 H23 F3 N6 O3)

Compound Name

1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-[4-(trifluoromethoxy)benzoyl]-1,4-diazepane

IUPAC name

1-[6-(4-methoxyphenyl)-[124]triazolo[15-a]pyrimidin-7-yl]-4-[4-(trifluoromethoxy)benzoyl]-14-diazepane

SMILES

COc(cc1)ccc1-c(cnc1ncnn11)c1N(CCC1)CCN1C(c(cc1)ccc1OC(F)(F)F)=O

InChI

InChI=1S/C25H23F3N6O3/c1-36-19-7-3-17(4-8-19)21-15-29-24-30-16-31-34(24)22(21)32-11-2-12-33(14-13-32)23(35)18-5-9-20(10-6-18)37-25(26,27)28/h3-10,15-16H,2,11-14H2,1H3

InChI Key

MGOKWZPPKIBAOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960873

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

512.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.356

Distribution Coefficient, logD

4.346

Water Solubility, LogSw

-4.22

Polar Surface Area

64.516

Acid Dissociation Constant (pKa)

25.09

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V004-0404 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V004-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0404?
Check Price and Availability of V004-0404, 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 V004-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0404
  • 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 V004-0404 available by request