3770-0147 Screening compound: 10-benzoyl-11-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3770-0147 Screening compound: 10-benzoyl-11-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3770-0147 Screening compound: 10-benzoyl-11-(4-chlorophenyl)-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 3770-0147
10-benzoyl-11-(4-chlorophenyl)-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

3770-0147

Molecular Formula

C26H21ClN2O2 (C26 H21 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccccc1)N(C1c(cc2)ccc2Cl)c(cccc2)c2NC(CCC2)=C1C2=O

InChI

InChI=1S/C26H21ClN2O2/c27-19-15-13-17(14-16-19)25-24-21(10-6-12-23(24)30)28-20-9-4-5-11-22(20)29(25)26(31)18-7-2-1-3-8-18/h1-5,7-9,11,13-16,25,28H,6,10,12H2/t25-/m0/s1

InChI Key

UENBBEOHPDSUAO-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14708706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.92

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

5.359

Distribution Coefficient, logD

5.348

Water Solubility, LogSw

-6.11

Polar Surface Area

39.165

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

3770-0147 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3770-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3770-0147?
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What is the minimum amount of 3770-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3770-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3770-0147
  • 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 3770-0147 available by request