3966-4637 Screening compound: 11-[4-(dimethylamino)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

3966-4637 Screening compound: 11-[4-(dimethylamino)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
3966-4637 Screening compound: 11-[4-(dimethylamino)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 3966-4637
11-[4-(dimethylamino)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

3966-4637

Molecular Formula

C30H32N4OS (C30 H32 N4 OS)

Compound Name

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

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(C2c(cc3)ccc3N(C)C)C(Nc3ccccc3)=S)=C2C1=O

InChI

InChI=1S/C30H32N4OS/c1-30(2)18-24-27(26(35)19-30)28(20-14-16-22(17-15-20)33(3)4)34(25-13-9-8-12-23(25)32-24)29(36)31-21-10-6-5-7-11-21/h5-17,28,32H,18-19H2,1-4H3,(H,31,36)/t28-/m0/s1

InChI Key

KUHSPVRPGCHGBP-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD02234556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.262

Distribution Coefficient, logD

6.239

Water Solubility, LogSw

-5.59

Polar Surface Area

36.219

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

3966-4637 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 3966-4637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-4637?
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What is the minimum amount of 3966-4637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-4637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-4637
  • 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 3966-4637 available by request