K272-1482 Screening compound: 4-bromo-N~13~,N~13~,9-trimethyl-10-(4-methylphenyl)-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

K272-1482 Screening compound: 4-bromo-N~13~,N~13~,9-trimethyl-10-(4-methylphenyl)-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide
K272-1482 Screening compound: 4-bromo-N~13~,N~13~,9-trimethyl-10-(4-methylphenyl)-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 K272-1482
4-bromo-N~13~,N~13~,9-trimethyl-10-(4-methylphenyl)-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

K272-1482

Molecular Formula

C21H22BrN3O2S (C21 H22 BrN3 O2 S)

Compound Name

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

IUPAC name

4-bromo-NN9-trimethyl-10-(4-methylphenyl)-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxamide

SMILES

CC(C(C1N2)C(N(C)C)=O)(N(c3ccc(C)cc3)C2=S)Oc(cc2)c1cc2Br

InChI

InChI=1S/C21H22BrN3O2S/c1-12-5-8-14(9-6-12)25-20(28)23-18-15-11-13(22)7-10-16(15)27-21(25,2)17(18)19(26)24(3)4/h5-11,17-18H,1-4H3,(H,23,28)

InChI Key

DIGOFAUHWDYUDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.825

Distribution Coefficient, logD

3.825

Water Solubility, LogSw

-4.05

Polar Surface Area

36.513

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with K272-1482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-1482?
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What is the minimum amount of K272-1482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-1482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-1482
  • 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 K272-1482 available by request