8012-7208 Screening compound: 2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-1-{2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indol-5-yl}ethan-1-one

8012-7208 Screening compound: 2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-1-{2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indol-5-yl}ethan-1-one
8012-7208 Screening compound: 2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-1-{2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indol-5-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7208
2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-1-{2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indol-5-yl}ethan-1-one

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

8012-7208

Molecular Formula

C22H23ClN6OS (C22 H23 ClN6 OS)

Compound Name

2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-1-{2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indol-5-yl}ethan-1-one

IUPAC name

2-{[1-(4-chlorophenyl)-1H-1234-tetrazol-5-yl]sulfanyl}-1-{28-dimethyl-1H2H3H4H4aH5H9bH-pyrido[43-b]indol-5-yl}ethan-1-one

SMILES

Cc(cc1)cc(C2C3CCN(C)C2)c1N3C(CSc1nnnn1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C22H23ClN6OS/c1-14-3-8-19-17(11-14)18-12-27(2)10-9-20(18)28(19)21(30)13-31-22-24-25-26-29(22)16-6-4-15(23)5-7-16/h3-8,11,18,20H,9-10,12-13H2,1-2H3

InChI Key

GJNBAISSZRNGTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.168

Distribution Coefficient, logD

1.431

Water Solubility, LogSw

-3.48

Polar Surface Area

57.586

Acid Dissociation Constant (pKa)

18.98

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

8012-7208 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-7208 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8012-7208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7208
  • 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 8012-7208 available by request