4780-0107 Screening compound: 10-acetyl-11-(3-methoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

4780-0107 Screening compound: 10-acetyl-11-(3-methoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
4780-0107 Screening compound: 10-acetyl-11-(3-methoxyphenyl)-3-(4-methoxyphenyl)-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 4780-0107
10-acetyl-11-(3-methoxyphenyl)-3-(4-methoxyphenyl)-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

4780-0107

Molecular Formula

C29H28N2O4 (C29 H28 N2 O4)

Compound Name

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

IUPAC name

9-acetyl-10-(3-methoxyphenyl)-14-(4-methoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(N(C1c2cc(OC)ccc2)c(cccc2)c2NC(CC(C2)c(cc3)ccc3OC)=C1C2=O)=O

InChI

InChI=1S/C29H28N2O4/c1-18(32)31-26-10-5-4-9-24(26)30-25-16-21(19-11-13-22(34-2)14-12-19)17-27(33)28(25)29(31)20-7-6-8-23(15-20)35-3/h4-15,21,29-30H,16-17H2,1-3H3

InChI Key

MWOMBNKHBHRFCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03304662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.219

Distribution Coefficient, logD

4.900

Water Solubility, LogSw

-5.05

Polar Surface Area

54.720

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.10

4780-0107 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 4780-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4780-0107?
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What is the minimum amount of 4780-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4780-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4780-0107
  • 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 4780-0107 available by request