V025-0349 Screening compound: 1-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(3-methylbenzenesulfonyl)-1,4-diazepane

V025-0349 Screening compound: 1-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(3-methylbenzenesulfonyl)-1,4-diazepane
V025-0349 Screening compound: 1-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(3-methylbenzenesulfonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-0349
1-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(3-methylbenzenesulfonyl)-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

V025-0349

Molecular Formula

C28H27ClN6O2S (C28 H27 ClN6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-c2nnc3n2c(N(CCC2)CCN2S(c2cc(C)ccc2)(=O)=O)nc2c3ccc(Cl)c2)c1

InChI

InChI=1S/C28H27ClN6O2S/c1-19-6-3-8-21(16-19)26-31-32-27-24-11-10-22(29)18-25(24)30-28(35(26)27)33-12-5-13-34(15-14-33)38(36,37)23-9-4-7-20(2)17-23/h3-4,6-11,16-18H,5,12-15H2,1-2H3

InChI Key

ICNXIHUNDQIATJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19924214

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

547.08

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.504

Distribution Coefficient, logD

6.223

Water Solubility, LogSw

-6.46

Polar Surface Area

64.843

Acid Dissociation Constant (pKa)

20.89

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V025-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-0349?
Check Price and Availability of V025-0349, 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 V025-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-0349
  • 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 V025-0349 available by request