T599-3066 Screening compound: 1-methyl-5-[4-(propan-2-yl)benzoyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

T599-3066 Screening compound: 1-methyl-5-[4-(propan-2-yl)benzoyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
T599-3066 Screening compound: 1-methyl-5-[4-(propan-2-yl)benzoyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T599-3066
1-methyl-5-[4-(propan-2-yl)benzoyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

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

T599-3066

Molecular Formula

C20H24N2O (C20 H24 N2 O)

Compound Name

1-methyl-5-[4-(propan-2-yl)benzoyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

IUPAC name

1-methyl-5-[4-(propan-2-yl)benzoyl]-2345-tetrahydro-1H-15-benzodiazepine

SMILES

CC(C)c(cc1)ccc1C(N1c(cccc2)c2N(C)CCC1)=O

InChI

InChI=1S/C20H24N2O/c1-15(2)16-9-11-17(12-10-16)20(23)22-14-6-13-21(3)18-7-4-5-8-19(18)22/h4-5,7-12,15H,6,13-14H2,1-3H3

InChI Key

FWXFIUAIQZCRSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31989291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.121

Distribution Coefficient, logD

4.121

Water Solubility, LogSw

-4.15

Polar Surface Area

18.511

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

T599-3066 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with T599-3066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T599-3066?
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What is the minimum amount of T599-3066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T599-3066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T599-3066
  • 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 T599-3066 available by request