3966-4574 Screening compound: 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3966-4574 Screening compound: 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3966-4574 Screening compound: 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-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 3966-4574
11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-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

3966-4574

Molecular Formula

C33H37N3O5 (C33 H37 N3 O5)

Compound Name

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

IUPAC name

10-[4-(dimethylamino)phenyl]-1414-dimethyl-9-(345-trimethoxybenzoyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(C2c(cc3)ccc3N(C)C)C(c(cc3OC)cc(OC)c3OC)=O)=C2C1=O

InChI

InChI=1S/C33H37N3O5/c1-33(2)18-24-29(26(37)19-33)30(20-12-14-22(15-13-20)35(3)4)36(25-11-9-8-10-23(25)34-24)32(38)21-16-27(39-5)31(41-7)28(17-21)40-6/h8-17,30,34H,18-19H2,1-7H3/t30-/m0/s1

InChI Key

QMKIHUCOMSISGT-PMERELPUSA-N

MDL Number (MFCD)

MFCD02240282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.280

Distribution Coefficient, logD

5.239

Water Solubility, LogSw

-5.18

Polar Surface Area

64.947

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

3966-4574 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3966-4574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-4574?
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What is the minimum amount of 3966-4574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-4574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-4574
  • 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 3966-4574 available by request