2986-4181 Screening compound: 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

2986-4181 Screening compound: 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
2986-4181 Screening compound: 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2986-4181
11-(6-chloro-4-oxo-4H-chromen-3-yl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

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

2986-4181

Molecular Formula

C26H25ClN2O3 (C26 H25 ClN2 O3)

Compound Name

11-(6-chloro-4-oxo-4H-chromen-3-yl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(6-chloro-4-oxo-4H-chromen-3-yl)-561414-tetramethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cc(C)c(C)c2)c2NC2C3=COc(ccc(Cl)c4)c4C3=O)=C2C1=O

InChI

InChI=1S/C26H25ClN2O3/c1-13-7-18-19(8-14(13)2)29-24(23-20(28-18)10-26(3,4)11-21(23)30)17-12-32-22-6-5-15(27)9-16(22)25(17)31/h5-9,12,24,28-29H,10-11H2,1-4H3/t24-/m0/s1

InChI Key

SAMOLXWGCCRQHP-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01655309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.349

Distribution Coefficient, logD

5.285

Water Solubility, LogSw

-5.82

Polar Surface Area

57.641

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

2986-4181 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

KRAS-Targeted Library (16000 compounds)

Akt-Targeted Library (14764 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 2986-4181 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2986-4181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2986-4181
  • 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 2986-4181 available by request