K272-2804 Screening compound: 10-(3-chloro-4-methylphenyl)-4-ethyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

K272-2804 Screening compound: 10-(3-chloro-4-methylphenyl)-4-ethyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
K272-2804 Screening compound: 10-(3-chloro-4-methylphenyl)-4-ethyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound K272-2804
10-(3-chloro-4-methylphenyl)-4-ethyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

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

K272-2804

Molecular Formula

C20H21ClN2OS (C20 H21 ClN2 OS)

Compound Name

10-(3-chloro-4-methylphenyl)-4-ethyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

IUPAC name

10-(3-chloro-4-methylphenyl)-4-ethyl-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CCc(cc1)cc(C(C2)N3)c1OC2(C)N(c1cc(Cl)c(C)cc1)C3=S

InChI

InChI=1S/C20H21ClN2OS/c1-4-13-6-8-18-15(9-13)17-11-20(3,24-18)23(19(25)22-17)14-7-5-12(2)16(21)10-14/h5-10,17H,4,11H2,1-3H3,(H,22,25)

InChI Key

UCVGYODAOPIEKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.782

Distribution Coefficient, logD

5.782

Water Solubility, LogSw

-6.10

Polar Surface Area

19.914

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

-4.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with K272-2804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-2804?
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What is the minimum amount of K272-2804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-2804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-2804
  • 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 K272-2804 available by request