V025-2966 Screening compound: 1-(4-{3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-1,4-diazepan-1-yl)-2-phenylbutan-1-one

V025-2966 Screening compound: 1-(4-{3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-1,4-diazepan-1-yl)-2-phenylbutan-1-one
V025-2966 Screening compound: 1-(4-{3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-1,4-diazepan-1-yl)-2-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-2966
1-(4-{3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-1,4-diazepan-1-yl)-2-phenylbutan-1-one

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

V025-2966

Molecular Formula

C31H32N6O (C31 H32 N6 O)

Compound Name

1-(4-{3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-1,4-diazepan-1-yl)-2-phenylbutan-1-one

IUPAC name

1-(4-{3-benzyl-[124]triazolo[43-c]quinazolin-5-yl}-14-diazepan-1-yl)-2-phenylbutan-1-one

SMILES

CCC(C(N(CCC1)CCN1c1nc(cccc2)c2c2nnc(Cc3ccccc3)n12)=O)c1ccccc1

InChI

InChI=1S/C31H32N6O/c1-2-25(24-14-7-4-8-15-24)30(38)35-18-11-19-36(21-20-35)31-32-27-17-10-9-16-26(27)29-34-33-28(37(29)31)22-23-12-5-3-6-13-23/h3-10,12-17,25H,2,11,18-22H2,1H3/t25-/m1/s1

InChI Key

JJEFCYVMJCBWBO-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19923517

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

504.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.387

Distribution Coefficient, logD

5.370

Water Solubility, LogSw

-5.64

Polar Surface Area

50.756

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.00

References: we are preparing a list of scientific research reports with V025-2966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-2966?
Check Price and Availability of V025-2966, 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 V025-2966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-2966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-2966
  • 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 V025-2966 available by request