V025-2958 Screening compound: 1-{3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-4-(3-methylbenzenesulfonyl)-1,4-diazepane

V025-2958 Screening compound: 1-{3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-4-(3-methylbenzenesulfonyl)-1,4-diazepane
V025-2958 Screening compound: 1-{3-benzyl-[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 V025-2958
1-{3-benzyl-[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

V025-2958

Molecular Formula

C28H28N6O2S (C28 H28 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(S(N(CCC2)CCN2c2nc(cccc3)c3c3nnc(Cc4ccccc4)n23)(=O)=O)c1

InChI

InChI=1S/C28H28N6O2S/c1-21-9-7-12-23(19-21)37(35,36)33-16-8-15-32(17-18-33)28-29-25-14-6-5-13-24(25)27-31-30-26(34(27)28)20-22-10-3-2-4-11-22/h2-7,9-14,19H,8,15-18,20H2,1H3

InChI Key

LFLYZEHTUXZNQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19924223

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

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.862

Distribution Coefficient, logD

4.845

Water Solubility, LogSw

-4.92

Polar Surface Area

65.819

Acid Dissociation Constant (pKa)

20.89

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V025-2958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-2958?
Check Price and Availability of V025-2958, 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 V025-2958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-2958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-2958
  • 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 V025-2958 available by request