3046-8194 Screening compound: 11-[4-(diethylamino)phenyl]-3,3-dimethyl-1-oxo-N~10~-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide

3046-8194 Screening compound: 11-[4-(diethylamino)phenyl]-3,3-dimethyl-1-oxo-N~10~-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
3046-8194 Screening compound: 11-[4-(diethylamino)phenyl]-3,3-dimethyl-1-oxo-N~10~-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3046-8194
11-[4-(diethylamino)phenyl]-3,3-dimethyl-1-oxo-N~10~-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide

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

3046-8194

Molecular Formula

C32H36N4OS (C32 H36 N4 OS)

Compound Name

11-[4-(diethylamino)phenyl]-3,3-dimethyl-1-oxo-N~10~-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide

IUPAC name

10-[4-(diethylamino)phenyl]-1414-dimethyl-12-oxo-N-phenyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraene-9-carbothioamide

SMILES

CCN(CC)c1ccc(C2N(C(Nc3ccccc3)=S)c(cccc3)c3NC(CC(C)(C)C3)=C2C3=O)cc1

InChI

InChI=1S/C32H36N4OS/c1-5-35(6-2)24-18-16-22(17-19-24)30-29-26(20-32(3,4)21-28(29)37)34-25-14-10-11-15-27(25)36(30)31(38)33-23-12-8-7-9-13-23/h7-19,30,34H,5-6,20-21H2,1-4H3,(H,33,38)/t30-/m0/s1

InChI Key

DCMFSNKEJDFFFC-PMERELPUSA-N

MDL Number (MFCD)

MFCD01853516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.73

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.982

Distribution Coefficient, logD

6.685

Water Solubility, LogSw

-5.75

Polar Surface Area

36.151

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

9.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

3046-8194 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 3046-8194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3046-8194?
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What is the minimum amount of 3046-8194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3046-8194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3046-8194
  • 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 3046-8194 available by request