T599-3733 Screening compound: 1-cyclopropanecarbonyl-5-(5-fluoro-2-methoxybenzenesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

T599-3733 Screening compound: 1-cyclopropanecarbonyl-5-(5-fluoro-2-methoxybenzenesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
T599-3733 Screening compound: 1-cyclopropanecarbonyl-5-(5-fluoro-2-methoxybenzenesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T599-3733
1-cyclopropanecarbonyl-5-(5-fluoro-2-methoxybenzenesulfonyl)-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

T599-3733

Molecular Formula

C20H21FN2O4S (C20 H21 FN2 O4 S)

Compound Name

1-cyclopropanecarbonyl-5-(5-fluoro-2-methoxybenzenesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

IUPAC name

1-cyclopropanecarbonyl-5-(5-fluoro-2-methoxybenzenesulfonyl)-2345-tetrahydro-1H-15-benzodiazepine

SMILES

COc(ccc(F)c1)c1S(N(CCC1)c(cccc2)c2N1C(C1CC1)=O)(=O)=O

InChI

InChI=1S/C20H21FN2O4S/c1-27-18-10-9-15(21)13-19(18)28(25,26)23-12-4-11-22(20(24)14-7-8-14)16-5-2-3-6-17(16)23/h2-3,5-6,9-10,13-14H,4,7-8,11-12H2,1H3

InChI Key

FCMOBQJLCFJSGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29002287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.863

Distribution Coefficient, logD

2.863

Water Solubility, LogSw

-3.39

Polar Surface Area

55.268

Acid Dissociation Constant (pKa)

21.34

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

T599-3733 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T599-3733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T599-3733?
Check Price and Availability of T599-3733, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T599-3733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T599-3733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T599-3733
  • 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 T599-3733 available by request