D481-1002 Screening compound: 2-(4-fluorophenyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]

D481-1002 Screening compound: 2-(4-fluorophenyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]
D481-1002 Screening compound: 2-(4-fluorophenyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane] alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-1002
2-(4-fluorophenyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]

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

D481-1002

Molecular Formula

C20H25FN4 (C20 H25 FN4)

Compound Name

2-(4-fluorophenyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]

IUPAC name

(4aS8aR)-2-(4-fluorophenyl)-4a56788a-hexahydro-4H-spiro[[124]triazolo[32-b]quinazoline-91'-cyclohexane]

SMILES

Fc(cc1)ccc1-c1nn(C2(CCCCC2)[C@H](CCCC2)[C@H]2N2)c2n1

InChI

InChI=1S/C20H25FN4/c21-15-10-8-14(9-11-15)18-23-19-22-17-7-3-2-6-16(17)20(25(19)24-18)12-4-1-5-13-20/h8-11,16-17H,1-7,12-13H2,(H,22,23,24)/t16-,17+/m0/s1

InChI Key

FBWUYBQJFMKEFZ-DLBZAZTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.287

Distribution Coefficient, logD

5.287

Water Solubility, LogSw

-5.55

Polar Surface Area

37.907

Acid Dissociation Constant (pKa)

19.38

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

D481-1002 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Cardiovascular Library (22201 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D481-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-1002?
Check Price and Availability of D481-1002, 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 D481-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-1002
  • 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 D481-1002 available by request