D322-0581 Screening compound: 2-cyclohexyl-4-(4-nitrobenzoyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]

D322-0581 Screening compound: 2-cyclohexyl-4-(4-nitrobenzoyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]
D322-0581 Screening compound: 2-cyclohexyl-4-(4-nitrobenzoyl)-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 D322-0581
2-cyclohexyl-4-(4-nitrobenzoyl)-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

D322-0581

Molecular Formula

C27H35N5O3 (C27 H35 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1C(N1c2nc(C3CCCCC3)nn2C2(CCCCC2)[C@H]2[C@@H]1CCCC2)=O)=O

InChI

InChI=1S/C27H35N5O3/c33-25(20-13-15-21(16-14-20)32(34)35)30-23-12-6-5-11-22(23)27(17-7-2-8-18-27)31-26(30)28-24(29-31)19-9-3-1-4-10-19/h13-16,19,22-23H,1-12,17-18H2/t22-,23-/m0/s1

InChI Key

GIJXVHZCAPNXEQ-GOTSBHOMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.61

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

6.131

Distribution Coefficient, logD

6.131

Water Solubility, LogSw

-5.79

Polar Surface Area

71.190

Acid Dissociation Constant (pKa)

20.55

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with D322-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D322-0581?
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What is the minimum amount of D322-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D322-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D322-0581
  • 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 D322-0581 available by request