K272-1247 Screening compound: N~13~-(2,4-dimethylphenyl)-4-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

K272-1247 Screening compound: N~13~-(2,4-dimethylphenyl)-4-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide
K272-1247 Screening compound: N~13~-(2,4-dimethylphenyl)-4-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K272-1247
N~13~-(2,4-dimethylphenyl)-4-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

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

K272-1247

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

N~13~-(2,4-dimethylphenyl)-4-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

IUPAC name

N-(24-dimethylphenyl)-4-methoxy-9-methyl-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxamide

SMILES

CC(C(C1N2)C(Nc3c(C)cc(C)cc3)=O)(NC2=S)Oc(cc2)c1cc2OC

InChI

InChI=1S/C21H23N3O3S/c1-11-5-7-15(12(2)9-11)22-19(25)17-18-14-10-13(26-4)6-8-16(14)27-21(17,3)24-20(28)23-18/h5-10,17-18H,1-4H3,(H,22,25)(H2,23,24,28)

InChI Key

SKGFNVJFCBPWOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.761

Distribution Coefficient, logD

3.760

Water Solubility, LogSw

-4.05

Polar Surface Area

61.471

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with K272-1247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-1247?
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What is the minimum amount of K272-1247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-1247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-1247
  • 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 K272-1247 available by request