T599-0626 Screening compound: 1-(2,5-difluorobenzoyl)-5-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

T599-0626 Screening compound: 1-(2,5-difluorobenzoyl)-5-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
T599-0626 Screening compound: 1-(2,5-difluorobenzoyl)-5-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T599-0626
1-(2,5-difluorobenzoyl)-5-(2-phenylethyl)-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

T599-0626

Molecular Formula

C24H22F2N2O (C24 H22 F2 N2 O)

Compound Name

1-(2,5-difluorobenzoyl)-5-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

IUPAC name

1-(25-difluorobenzoyl)-5-(2-phenylethyl)-2345-tetrahydro-1H-15-benzodiazepine

SMILES

O=C(c(cc(cc1)F)c1F)N1c(cccc2)c2N(CCc2ccccc2)CCC1

InChI

InChI=1S/C24H22F2N2O/c25-19-11-12-21(26)20(17-19)24(29)28-15-6-14-27(22-9-4-5-10-23(22)28)16-13-18-7-2-1-3-8-18/h1-5,7-12,17H,6,13-16H2

InChI Key

RVRHQUNGQPUYQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28999341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.465

Distribution Coefficient, logD

5.465

Water Solubility, LogSw

-5.76

Polar Surface Area

18.503

Acid Dissociation Constant (pKa)

25.97

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

T599-0626 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T599-0626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T599-0626?
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What is the minimum amount of T599-0626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T599-0626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T599-0626
  • 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 T599-0626 available by request