V017-9985 Screening compound: 1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane

V017-9985 Screening compound: 1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane
V017-9985 Screening compound: 1-(benzenesulfonyl)-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 V017-9985
1-(benzenesulfonyl)-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

V017-9985

Molecular Formula

C27H26N6O2S (C27 H26 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-c2nnc3n2c(N(CCC2)CCN2S(c2ccccc2)(=O)=O)nc2c3cccc2)c1

InChI

InChI=1S/C27H26N6O2S/c1-20-9-7-10-21(19-20)25-29-30-26-23-13-5-6-14-24(23)28-27(33(25)26)31-15-8-16-32(18-17-31)36(34,35)22-11-3-2-4-12-22/h2-7,9-14,19H,8,15-18H2,1H3

InChI Key

ZRUQRNNYOVNWKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19902509

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

498.61

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

4.988

Distribution Coefficient, logD

4.722

Water Solubility, LogSw

-4.95

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

22.20

References: we are preparing a list of scientific research reports with V017-9985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9985?
Check Price and Availability of V017-9985, 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 V017-9985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9985
  • 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 V017-9985 available by request