3536-0190 Screening compound: 11-[4-(dimethylamino)phenyl]-N~10~-ethyl-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide

3536-0190 Screening compound: 11-[4-(dimethylamino)phenyl]-N~10~-ethyl-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
3536-0190 Screening compound: 11-[4-(dimethylamino)phenyl]-N~10~-ethyl-3,3-dimethyl-1-oxo-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 3536-0190
11-[4-(dimethylamino)phenyl]-N~10~-ethyl-3,3-dimethyl-1-oxo-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

3536-0190

Molecular Formula

C26H32N4OS (C26 H32 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCNC(N(C1c(cc2)ccc2N(C)C)c(cccc2)c2NC(CC(C)(C)C2)=C1C2=O)=S

InChI

InChI=1S/C26H32N4OS/c1-6-27-25(32)30-21-10-8-7-9-19(21)28-20-15-26(2,3)16-22(31)23(20)24(30)17-11-13-18(14-12-17)29(4)5/h7-14,24,28H,6,15-16H2,1-5H3,(H,27,32)/t24-/m0/s1

InChI Key

GGWPTCMCWGXRBJ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01956483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.63

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

4.994

Distribution Coefficient, logD

4.977

Water Solubility, LogSw

-4.59

Polar Surface Area

37.439

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

3536-0190 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3536-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3536-0190?
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What is the minimum amount of 3536-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3536-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3536-0190
  • 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 3536-0190 available by request