D322-0672 Screening compound: 4-(3-nitrobenzoyl)-2-(pyridin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]

D322-0672 Screening compound: 4-(3-nitrobenzoyl)-2-(pyridin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]
D322-0672 Screening compound: 4-(3-nitrobenzoyl)-2-(pyridin-3-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 D322-0672
4-(3-nitrobenzoyl)-2-(pyridin-3-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

D322-0672

Molecular Formula

C26H28N6O3 (C26 H28 N6 O3)

Compound Name

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

SMILES

[O-][N+](c1cc(C(N2c3nc(-c4cnccc4)nn3C3(CCCCC3)[C@H]3[C@@H]2CCCC3)=O)ccc1)=O

InChI

InChI=1S/C26H28N6O3/c33-24(18-8-6-10-20(16-18)32(34)35)30-22-12-3-2-11-21(22)26(13-4-1-5-14-26)31-25(30)28-23(29-31)19-9-7-15-27-17-19/h6-10,15-17,21-22H,1-5,11-14H2/t21-,22-/m0/s1

InChI Key

UOQUPJCWOFQMDO-VXKWHMMOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.425

Distribution Coefficient, logD

3.554

Water Solubility, LogSw

-4.38

Polar Surface Area

80.515

Acid Dissociation Constant (pKa)

20.55

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with D322-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D322-0672?
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What is the minimum amount of D322-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D322-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D322-0672
  • 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 D322-0672 available by request