K272-1553 Screening compound: 4,6-dichloro-10-(4-chlorophenyl)-N~13~,N~13~,9-trimethyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

K272-1553 Screening compound: 4,6-dichloro-10-(4-chlorophenyl)-N~13~,N~13~,9-trimethyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide
K272-1553 Screening compound: 4,6-dichloro-10-(4-chlorophenyl)-N~13~,N~13~,9-trimethyl-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 K272-1553
4,6-dichloro-10-(4-chlorophenyl)-N~13~,N~13~,9-trimethyl-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

K272-1553

Molecular Formula

C20H18Cl3N3O2S (C20 H18 Cl3 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(C(c1cc(Cl)c2)N3)C(N(C)C)=O)(N(c(cc4)ccc4Cl)C3=S)Oc1c2Cl

InChI

InChI=1S/C20H18Cl3N3O2S/c1-20-15(18(27)25(2)3)16(13-8-11(22)9-14(23)17(13)28-20)24-19(29)26(20)12-6-4-10(21)5-7-12/h4-9,15-16H,1-3H3,(H,24,29)

InChI Key

BGGJLESZQLVKSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.81

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

4.567

Distribution Coefficient, logD

4.567

Water Solubility, LogSw

-4.80

Polar Surface Area

36.197

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.00

K272-1553 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K272-1553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-1553?
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What is the minimum amount of K272-1553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-1553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-1553
  • 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 K272-1553 available by request