F141-0077 Screening compound: 4-chloro-10-(4-isopropylphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

F141-0077 Screening compound: 4-chloro-10-(4-isopropylphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
F141-0077 Screening compound: 4-chloro-10-(4-isopropylphenyl)-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 F141-0077
4-chloro-10-(4-isopropylphenyl)-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

F141-0077

Molecular Formula

C20H21ClN2OS (C20 H21 ClN2 OS)

Compound Name

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

IUPAC name

4-chloro-9-methyl-10-[4-(propan-2-yl)phenyl]-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CC(C)c(cc1)ccc1N(C(C)(CC1N2)Oc(cc3)c1cc3Cl)C2=S

InChI

InChI=1S/C20H21ClN2OS/c1-12(2)13-4-7-15(8-5-13)23-19(25)22-17-11-20(23,3)24-18-9-6-14(21)10-16(17)18/h4-10,12,17H,11H2,1-3H3,(H,22,25)

InChI Key

NKXYVHKZKRBYBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942891

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

5.581

Distribution Coefficient, logD

5.581

Water Solubility, LogSw

-6.21

Polar Surface Area

19.914

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with F141-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F141-0077?
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What is the minimum amount of F141-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F141-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F141-0077
  • 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 F141-0077 available by request