8015-7861 Screening compound: 2'-amino-1'-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-7',7'-dimethyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile

8015-7861 Screening compound: 2'-amino-1'-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-7',7'-dimethyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
8015-7861 Screening compound: 2'-amino-1'-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-7',7'-dimethyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-7861
2'-amino-1'-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-7',7'-dimethyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile

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

8015-7861

Molecular Formula

C23H22N6O2S2 (C23 H22 N6 O2 S2)

Compound Name

2'-amino-1'-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-7',7'-dimethyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile

IUPAC name

2'-amino-1'-[5-(ethylsulfanyl)-134-thiadiazol-2-yl]-7'7'-dimethyl-25'-dioxo-125'6'7'8'-hexahydro-1'H-spiro[indole-34'-quinoline]-3'-carbonitrile

SMILES

CCSc1nnc(N(C(CC(C)(C)C2)=C(C3(c(cccc4)c4N4)C4=O)C2=O)C(N)=C3C#N)s1

InChI

InChI=1S/C23H22N6O2S2/c1-4-32-21-28-27-20(33-21)29-15-9-22(2,3)10-16(30)17(15)23(13(11-24)18(29)25)12-7-5-6-8-14(12)26-19(23)31/h5-8H,4,9-10,25H2,1-3H3,(H,26,31)/t23-/m1/s1

InChI Key

XTKJNOLHVFJCNN-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD05258349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.242

Distribution Coefficient, logD

3.242

Water Solubility, LogSw

-3.74

Polar Surface Area

100.300

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

8015-7861 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-7861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-7861?
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What is the minimum amount of 8015-7861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-7861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-7861
  • 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 8015-7861 available by request