T991-2064 Screening compound: N-(2,5-DIFLUOROPHENYL)-4-[1-(2-METHOXYETHYL)-2-OXOTETRAHYDRO-1H-PYRROL-3-YL]-1,4-DIAZEPANE-1-CARBOXAMIDE

T991-2064 Screening compound: N-(2,5-DIFLUOROPHENYL)-4-[1-(2-METHOXYETHYL)-2-OXOTETRAHYDRO-1H-PYRROL-3-YL]-1,4-DIAZEPANE-1-CARBOXAMIDE
T991-2064 Screening compound: N-(2,5-DIFLUOROPHENYL)-4-[1-(2-METHOXYETHYL)-2-OXOTETRAHYDRO-1H-PYRROL-3-YL]-1,4-DIAZEPANE-1-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound T991-2064
N-(2,5-DIFLUOROPHENYL)-4-[1-(2-METHOXYETHYL)-2-OXOTETRAHYDRO-1H-PYRROL-3-YL]-1,4-DIAZEPANE-1-CARBOXAMIDE

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

T991-2064

Molecular Formula

C19H26F2N4O3 (C19 H26 F2 N4 O3)

Compound Name

N-(2,5-DIFLUOROPHENYL)-4-[1-(2-METHOXYETHYL)-2-OXOTETRAHYDRO-1H-PYRROL-3-YL]-1,4-DIAZEPANE-1-CARBOXAMIDE

IUPAC name

N-(25-difluorophenyl)-4-[1-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]-14-diazepane-1-carboxamide

SMILES

COCCN(CCC1N(CCC2)CCN2C(Nc(cc(cc2)F)c2F)=O)C1=O

InChI

InChI=1S/C19H26F2N4O3/c1-28-12-11-24-8-5-17(18(24)26)23-6-2-7-25(10-9-23)19(27)22-16-13-14(20)3-4-15(16)21/h3-4,13,17H,2,5-12H2,1H3,(H,22,27)/t17-/m0/s1

InChI Key

VJFFYOSNFMKEEH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29021145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.616

Distribution Coefficient, logD

1.307

Water Solubility, LogSw

-2.08

Polar Surface Area

53.284

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

7.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

T991-2064 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T991-2064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T991-2064?
Check Price and Availability of T991-2064, 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 T991-2064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T991-2064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T991-2064
  • 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 T991-2064 available by request