V003-8946 Screening compound: 1-(3-methylbenzenesulfonyl)-4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane

V003-8946 Screening compound: 1-(3-methylbenzenesulfonyl)-4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane
V003-8946 Screening compound: 1-(3-methylbenzenesulfonyl)-4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-8946
1-(3-methylbenzenesulfonyl)-4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-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

V003-8946

Molecular Formula

C28H28N6O2S (C28 H28 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-c2nnc3n2c(N(CCC2)CCN2S(c2cc(C)ccc2)(=O)=O)nc2c3cccc2)c1

InChI

InChI=1S/C28H28N6O2S/c1-20-8-5-10-22(18-20)26-30-31-27-24-12-3-4-13-25(24)29-28(34(26)27)32-14-7-15-33(17-16-32)37(35,36)23-11-6-9-21(2)19-23/h3-6,8-13,18-19H,7,14-17H2,1-2H3

InChI Key

CHUOSWCBXVHWNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19924274

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

512.64

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

5.598

Distribution Coefficient, logD

5.331

Water Solubility, LogSw

-5.76

Polar Surface Area

64.843

Acid Dissociation Constant (pKa)

20.89

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V003-8946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-8946?
Check Price and Availability of V003-8946, 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 V003-8946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-8946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-8946
  • 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 V003-8946 available by request