7790-2222 Screening compound: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-1-ethanone

7790-2222 Screening compound: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-1-ethanone
7790-2222 Screening compound: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 7790-2222
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-1-ethanone

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

7790-2222

Molecular Formula

C24H29N5OS2 (C24 H29 N5 OS2)

Compound Name

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-1-ethanone

IUPAC name

2-[(5-amino-134-thiadiazol-2-yl)sulfanyl]-1-{12-cyclohexyl-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)10(15)1113-tetraen-4-yl}ethan-1-one

SMILES

Nc1nnc(SCC(N2C(CCC3)c4c3c(cc(C3CCCCC3)cc3)c3n4CC2)=O)s1

InChI

InChI=1S/C24H29N5OS2/c25-23-26-27-24(32-23)31-14-21(30)28-11-12-29-19-10-9-16(15-5-2-1-3-6-15)13-18(19)17-7-4-8-20(28)22(17)29/h9-10,13,15,20H,1-8,11-12,14H2,(H2,25,26)/t20-/m0/s1

InChI Key

JRFCPGAYMVEZSE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14713022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.747

Distribution Coefficient, logD

5.747

Water Solubility, LogSw

-5.81

Polar Surface Area

59.389

Acid Dissociation Constant (pKa)

19.56

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.20

7790-2222 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

DGK Inhibitors Library (10558 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7790-2222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7790-2222?
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What is the minimum amount of 7790-2222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7790-2222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7790-2222
  • 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 7790-2222 available by request