V004-9845 Screening compound: 1-(2,3,5,6-tetramethylbenzenesulfonyl)-4-{5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-yl}piperazine

V004-9845 Screening compound: 1-(2,3,5,6-tetramethylbenzenesulfonyl)-4-{5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-yl}piperazine
V004-9845 Screening compound: 1-(2,3,5,6-tetramethylbenzenesulfonyl)-4-{5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9845
1-(2,3,5,6-tetramethylbenzenesulfonyl)-4-{5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-yl}piperazine

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

V004-9845

Molecular Formula

C23H30N6O2S (C23 H30 N6 O2 S)

Compound Name

1-(2,3,5,6-tetramethylbenzenesulfonyl)-4-{5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-yl}piperazine

IUPAC name

1-(2356-tetramethylbenzenesulfonyl)-4-{5H6H7H8H-[124]triazolo[32-b]quinazolin-9-yl}piperazine

SMILES

Cc1c(C)c(S(N(CC2)CCN2c2c(CCCC3)c3nc3ncnn23)(=O)=O)c(C)c(C)c1

InChI

InChI=1S/C23H30N6O2S/c1-15-13-16(2)18(4)21(17(15)3)32(30,31)28-11-9-27(10-12-28)22-19-7-5-6-8-20(19)26-23-24-14-25-29(22)23/h13-14H,5-12H2,1-4H3

InChI Key

OGQOJVKMFVLIIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961104

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.125

Distribution Coefficient, logD

4.125

Water Solubility, LogSw

-4.07

Polar Surface Area

71.149

Acid Dissociation Constant (pKa)

25.54

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

V004-9845 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-9845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9845?
Check Price and Availability of V004-9845, 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 V004-9845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9845
  • 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 V004-9845 available by request