1186-0427 Screening compound: 7-bromo-5-phenyl-4-(3,4,5-trimethoxybenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

1186-0427 Screening compound: 7-bromo-5-phenyl-4-(3,4,5-trimethoxybenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
1186-0427 Screening compound: 7-bromo-5-phenyl-4-(3,4,5-trimethoxybenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1186-0427
7-bromo-5-phenyl-4-(3,4,5-trimethoxybenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-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

1186-0427

Molecular Formula

C25H23BrN2O5 (C25 H23 BrN2 O5)

Compound Name

7-bromo-5-phenyl-4-(3,4,5-trimethoxybenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-bromo-5-phenyl-4-(345-trimethoxybenzoyl)-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

COc1cc(C(N(C2)C(c3ccccc3)c(cc(cc3)Br)c3NC2=O)=O)cc(OC)c1OC

InChI

InChI=1S/C25H23BrN2O5/c1-31-20-11-16(12-21(32-2)24(20)33-3)25(30)28-14-22(29)27-19-10-9-17(26)13-18(19)23(28)15-7-5-4-6-8-15/h4-13,23H,14H2,1-3H3,(H,27,29)/t23-/m0/s1

InChI Key

CLJVKIIUYMDMNP-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00846150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.382

Distribution Coefficient, logD

4.382

Water Solubility, LogSw

-4.28

Polar Surface Area

64.004

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

1186-0427 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Frequent Hitters Library (7624 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1186-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1186-0427?
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What is the minimum amount of 1186-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1186-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1186-0427
  • 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 1186-0427 available by request