D322-0534 Screening compound: 4-(3-nitrobenzoyl)-2-(propan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]

D322-0534 Screening compound: 4-(3-nitrobenzoyl)-2-(propan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]
D322-0534 Screening compound: 4-(3-nitrobenzoyl)-2-(propan-2-yl)-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 D322-0534
4-(3-nitrobenzoyl)-2-(propan-2-yl)-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

D322-0534

Molecular Formula

C24H31N5O3 (C24 H31 N5 O3)

Compound Name

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

IUPAC name

(4aS8aR)-4-(3-nitrobenzoyl)-2-(propan-2-yl)-4a56788a-hexahydro-4H-spiro[[124]triazolo[32-b]quinazoline-91'-cyclohexane]

SMILES

CC(C)c1nn(C2(CCCCC2)[C@H](CCCC2)[C@H]2N2C(c3cccc([N+]([O-])=O)c3)=O)c2n1

InChI

InChI=1S/C24H31N5O3/c1-16(2)21-25-23-27(22(30)17-9-8-10-18(15-17)29(31)32)20-12-5-4-11-19(20)24(28(23)26-21)13-6-3-7-14-24/h8-10,15-16,19-20H,3-7,11-14H2,1-2H3/t19-,20-/m0/s1

InChI Key

OYRHOHYUCJARAR-PMACEKPBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

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

5.016

Distribution Coefficient, logD

5.016

Water Solubility, LogSw

-4.69

Polar Surface Area

71.269

Acid Dissociation Constant (pKa)

20.55

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

References: we are preparing a list of scientific research reports with D322-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D322-0534?
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What is the minimum amount of D322-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D322-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D322-0534
  • 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 D322-0534 available by request