K272-2742 Screening compound: methyl 10-(4-bromophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-4-carboxylate

K272-2742 Screening compound: methyl 10-(4-bromophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-4-carboxylate
K272-2742 Screening compound: methyl 10-(4-bromophenyl)-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 K272-2742
methyl 10-(4-bromophenyl)-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

K272-2742

Molecular Formula

C19H17BrN2O3S (C19 H17 BrN2 O3 S)

Compound Name

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

SMILES

CC(CC1N2)(N(c(cc3)ccc3Br)C2=S)Oc(cc2)c1cc2C(OC)=O

InChI

InChI=1S/C19H17BrN2O3S/c1-19-10-15(14-9-11(17(23)24-2)3-8-16(14)25-19)21-18(26)22(19)13-6-4-12(20)5-7-13/h3-9,15H,10H2,1-2H3,(H,21,26)

InChI Key

ZOGSMAMWDZHNAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.666

Distribution Coefficient, logD

4.666

Water Solubility, LogSw

-4.60

Polar Surface Area

41.088

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

-5.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with K272-2742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-2742?
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What is the minimum amount of K272-2742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-2742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-2742
  • 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 K272-2742 available by request