4780-0028 Screening compound: 10-acetyl-11-(3-fluorophenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

4780-0028 Screening compound: 10-acetyl-11-(3-fluorophenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
4780-0028 Screening compound: 10-acetyl-11-(3-fluorophenyl)-3-(4-methylphenyl)-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 4780-0028
10-acetyl-11-(3-fluorophenyl)-3-(4-methylphenyl)-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

4780-0028

Molecular Formula

C28H25FN2O2 (C28 H25 FN2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(N(C1c2cccc(F)c2)c(cccc2)c2NC(CC(C2)c3ccc(C)cc3)=C1C2=O)=O

InChI

InChI=1S/C28H25FN2O2/c1-17-10-12-19(13-11-17)21-15-24-27(26(33)16-21)28(20-6-5-7-22(29)14-20)31(18(2)32)25-9-4-3-8-23(25)30-24/h3-14,21,28,30H,15-16H2,1-2H3

InChI Key

VUXPEMRNQDGDKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03287185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.726

Distribution Coefficient, logD

5.406

Water Solubility, LogSw

-5.45

Polar Surface Area

39.632

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 4780-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4780-0028?
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What is the minimum amount of 4780-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4780-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4780-0028
  • 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 4780-0028 available by request