T599-3594 Screening compound: 1-(5-METHANESULFONYL-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-1-YL)-2-[4-(TRIFLUOROMETHOXY)PHENYL]ETHAN-1-ONE

T599-3594 Screening compound: 1-(5-METHANESULFONYL-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-1-YL)-2-[4-(TRIFLUOROMETHOXY)PHENYL]ETHAN-1-ONE
T599-3594 Screening compound: 1-(5-METHANESULFONYL-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-1-YL)-2-[4-(TRIFLUOROMETHOXY)PHENYL]ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound T599-3594
1-(5-METHANESULFONYL-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-1-YL)-2-[4-(TRIFLUOROMETHOXY)PHENYL]ETHAN-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

T599-3594

Molecular Formula

C19H19F3N2O4S (C19 H19 F3 N2 O4 S)

Compound Name

1-(5-METHANESULFONYL-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-1-YL)-2-[4-(TRIFLUOROMETHOXY)PHENYL]ETHAN-1-ONE

IUPAC name

n/a

SMILES

CS(N(CCC1)c(cccc2)c2N1C(Cc(cc1)ccc1OC(F)(F)F)=O)(=O)=O

InChI

InChI=1S/C19H19F3N2O4S/c1-29(26,27)24-12-4-11-23(16-5-2-3-6-17(16)24)18(25)13-14-7-9-15(10-8-14)28-19(20,21)22/h2-3,5-10H,4,11-13H2,1H3

InChI Key

LOWDOQXJOIFTHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29016472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.592

Distribution Coefficient, logD

3.592

Water Solubility, LogSw

-3.94

Polar Surface Area

52.287

Acid Dissociation Constant (pKa)

16.63

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with T599-3594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T599-3594?
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What is the minimum amount of T599-3594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T599-3594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T599-3594
  • 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 T599-3594 available by request