V025-0306 Screening compound: benzyl 4-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxylate

V025-0306 Screening compound: benzyl 4-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxylate
V025-0306 Screening compound: benzyl 4-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-0306
benzyl 4-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxylate

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

V025-0306

Molecular Formula

C29H27ClN6O2 (C29 H27 ClN6 O2)

Compound Name

benzyl 4-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxylate

IUPAC name

benzyl 4-[8-chloro-3-(3-methylphenyl)-[124]triazolo[43-c]quinazolin-5-yl]-14-diazepane-1-carboxylate

SMILES

Cc1cccc(-c2nnc3n2c(N(CCC2)CCN2C(OCc2ccccc2)=O)nc2c3ccc(Cl)c2)c1

InChI

InChI=1S/C29H27ClN6O2/c1-20-7-5-10-22(17-20)26-32-33-27-24-12-11-23(30)18-25(24)31-28(36(26)27)34-13-6-14-35(16-15-34)29(37)38-19-21-8-3-2-4-9-21/h2-5,7-12,17-18H,6,13-16,19H2,1H3

InChI Key

WECHIGBASAMNSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19923368

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

527.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.938

Distribution Coefficient, logD

6.658

Water Solubility, LogSw

-6.33

Polar Surface Area

56.208

Acid Dissociation Constant (pKa)

21.18

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

V025-0306 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 V025-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-0306?
Check Price and Availability of V025-0306, 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 V025-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-0306
  • 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 V025-0306 available by request