3805-1305 Screening compound: 11-(2,6-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3805-1305 Screening compound: 11-(2,6-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3805-1305 Screening compound: 11-(2,6-dichlorophenyl)-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 3805-1305
11-(2,6-dichlorophenyl)-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

3805-1305

Molecular Formula

C19H16Cl2N2O (C19 H16 Cl2 N2 O)

Compound Name

11-(2,6-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(26-dichlorophenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

O=C(CCC1)C2=C1Nc(cccc1)c1NC2c(c(Cl)ccc1)c1Cl

InChI

InChI=1S/C19H16Cl2N2O/c20-11-5-3-6-12(21)17(11)19-18-15(9-4-10-16(18)24)22-13-7-1-2-8-14(13)23-19/h1-3,5-8,19,22-23H,4,9-10H2/t19-/m0/s1

InChI Key

BUSOCUVNNYZQDO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02917496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.25

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.081

Distribution Coefficient, logD

4.079

Water Solubility, LogSw

-4.13

Polar Surface Area

36.748

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

3805-1305 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

KRAS-Targeted Library (16000 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
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 3805-1305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3805-1305?
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What is the minimum amount of 3805-1305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3805-1305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3805-1305
  • 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 3805-1305 available by request