8014-1423 Screening compound: (3aR,7aS)-5-chloro-2-(4H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

8014-1423 Screening compound: (3aR,7aS)-5-chloro-2-(4H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
8014-1423 Screening compound: (3aR,7aS)-5-chloro-2-(4H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1423
(3aR,7aS)-5-chloro-2-(4H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

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

8014-1423

Molecular Formula

C10H9ClN4O2 (C10 H9 ClN4 O2)

Compound Name

(3aR,7aS)-5-chloro-2-(4H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

IUPAC name

(3aR7aS)-5-chloro-2-(4H-124-triazol-3-yl)-233a477a-hexahydro-1H-isoindole-13-dione

SMILES

O=C([C@H](CC=C(C1)Cl)[C@H]1C1=O)N1c1nnc[nH]1

InChI

InChI=1S/C10H9ClN4O2/c11-5-1-2-6-7(3-5)9(17)15(8(6)16)10-12-4-13-14-10/h1,4,6-7H,2-3H2,(H,12,13,14)/t6-,7+/m0/s1

InChI Key

GHQNMKXHBGBQQQ-NKWVEPMBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.227

Distribution Coefficient, logD

-1.672

Water Solubility, LogSw

-2.01

Polar Surface Area

63.702

Acid Dissociation Constant (pKa)

3.15

Base Dissociation Constant (pKb)

-3.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

8014-1423 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8014-1423 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8014-1423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1423
  • 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 8014-1423 available by request