6208-0184 Screening compound: 10-(cyclopropylcarbonyl)-11-[4-(dimethylamino)phenyl]-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

6208-0184 Screening compound: 10-(cyclopropylcarbonyl)-11-[4-(dimethylamino)phenyl]-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
6208-0184 Screening compound: 10-(cyclopropylcarbonyl)-11-[4-(dimethylamino)phenyl]-3-(4-fluorophenyl)-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 6208-0184
10-(cyclopropylcarbonyl)-11-[4-(dimethylamino)phenyl]-3-(4-fluorophenyl)-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

6208-0184

Molecular Formula

C31H30FN3O2 (C31 H30 FN3 O2)

Compound Name

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

IUPAC name

9-cyclopropanecarbonyl-10-[4-(dimethylamino)phenyl]-14-(4-fluorophenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CN(C)c1ccc(C2N(C(C3CC3)=O)c(cccc3)c3NC(CC(C3)c(cc4)ccc4F)=C2C3=O)cc1

InChI

InChI=1S/C31H30FN3O2/c1-34(2)24-15-11-20(12-16-24)30-29-26(17-22(18-28(29)36)19-9-13-23(32)14-10-19)33-25-5-3-4-6-27(25)35(30)31(37)21-7-8-21/h3-6,9-16,21-22,30,33H,7-8,17-18H2,1-2H3

InChI Key

AJFOEJLJOMTKOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03946445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.072

Distribution Coefficient, logD

5.753

Water Solubility, LogSw

-5.60

Polar Surface Area

42.221

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.00

6208-0184 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6208-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6208-0184?
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What is the minimum amount of 6208-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6208-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6208-0184
  • 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 6208-0184 available by request