3046-8697 Screening compound: 10-acetyl-11-(2-chloro-6-fluorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3046-8697 Screening compound: 10-acetyl-11-(2-chloro-6-fluorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3046-8697 Screening compound: 10-acetyl-11-(2-chloro-6-fluorophenyl)-3,3-dimethyl-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 3046-8697
10-acetyl-11-(2-chloro-6-fluorophenyl)-3,3-dimethyl-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

3046-8697

Molecular Formula

C23H22ClFN2O2 (C23 H22 ClFN2 O2)

Compound Name

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

IUPAC name

9-acetyl-10-(2-chloro-6-fluorophenyl)-1414-dimethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(C2c(c(F)ccc3)c3Cl)C(C)=O)=C2C1=O

InChI

InChI=1S/C23H22ClFN2O2/c1-13(28)27-18-10-5-4-9-16(18)26-17-11-23(2,3)12-19(29)21(17)22(27)20-14(24)7-6-8-15(20)25/h4-10,22,26H,11-12H2,1-3H3/t22-/m0/s1

InChI Key

LXGUAURZSOAXTQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01920431

Chemical and Physical Properties

Saltdata

CH3COOH

Molecular Weight

412.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.397

Distribution Coefficient, logD

4.274

Water Solubility, LogSw

-4.40

Polar Surface Area

39.904

Acid Dissociation Constant (pKa)

7.88

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

3046-8697 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3046-8697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3046-8697?
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What is the minimum amount of 3046-8697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3046-8697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3046-8697
  • 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 3046-8697 available by request