8013-0607 Screening compound: 1-{2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indol-5-yl}-2-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}ethan-1-one

8013-0607 Screening compound: 1-{2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indol-5-yl}-2-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}ethan-1-one
8013-0607 Screening compound: 1-{2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indol-5-yl}-2-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0607
1-{2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indol-5-yl}-2-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}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

8013-0607

Molecular Formula

C23H26N6O2S (C23 H26 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(C2C3CCN(C)C2)c1N3C(CSc1nnnn1-c(cc1)ccc1OC)=O

InChI

InChI=1S/C23H26N6O2S/c1-15-4-9-20-18(12-15)19-13-27(2)11-10-21(19)28(20)22(30)14-32-23-24-25-26-29(23)16-5-7-17(31-3)8-6-16/h4-9,12,19,21H,10-11,13-14H2,1-3H3

InChI Key

MFOMDGQAIVKJQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.555

Distribution Coefficient, logD

0.819

Water Solubility, LogSw

-3.08

Polar Surface Area

65.130

Acid Dissociation Constant (pKa)

18.98

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

8013-0607 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-0607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0607?
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What is the minimum amount of 8013-0607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0607
  • 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 8013-0607 available by request