K272-2750 Screening compound: methyl 10-[4-chloro-3-(trifluoromethyl)phenyl]-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-4-carboxylate

K272-2750 Screening compound: methyl 10-[4-chloro-3-(trifluoromethyl)phenyl]-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-4-carboxylate
K272-2750 Screening compound: methyl 10-[4-chloro-3-(trifluoromethyl)phenyl]-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K272-2750
methyl 10-[4-chloro-3-(trifluoromethyl)phenyl]-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-4-carboxylate

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

K272-2750

Molecular Formula

C20H16ClF3N2O3S (C20 H16 ClF3 N2 O3 S)

Compound Name

methyl 10-[4-chloro-3-(trifluoromethyl)phenyl]-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-4-carboxylate

IUPAC name

methyl 10-[4-chloro-3-(trifluoromethyl)phenyl]-9-methyl-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-4-carboxylate

SMILES

CC(CC1N2)(N(c(cc3)cc(C(F)(F)F)c3Cl)C2=S)Oc(cc2)c1cc2C(OC)=O

InChI

InChI=1S/C20H16ClF3N2O3S/c1-19-9-15(12-7-10(17(27)28-2)3-6-16(12)29-19)25-18(30)26(19)11-4-5-14(21)13(8-11)20(22,23)24/h3-8,15H,9H2,1-2H3,(H,25,30)

InChI Key

ZGDUUIZKZDRMAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.274

Distribution Coefficient, logD

5.274

Water Solubility, LogSw

-5.72

Polar Surface Area

41.088

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

-5.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with K272-2750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-2750?
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What is the minimum amount of K272-2750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-2750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-2750
  • 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 K272-2750 available by request