T991-2111 Screening compound: N-(3,5-DIFLUOROPHENYL)-4-[1-(2-METHOXYETHYL)-2-OXOPYRROLIDIN-3-YL]-1,4-DIAZEPANE-1-CARBOXAMIDE

T991-2111 Screening compound: N-(3,5-DIFLUOROPHENYL)-4-[1-(2-METHOXYETHYL)-2-OXOPYRROLIDIN-3-YL]-1,4-DIAZEPANE-1-CARBOXAMIDE
T991-2111 Screening compound: N-(3,5-DIFLUOROPHENYL)-4-[1-(2-METHOXYETHYL)-2-OXOPYRROLIDIN-3-YL]-1,4-DIAZEPANE-1-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound T991-2111
N-(3,5-DIFLUOROPHENYL)-4-[1-(2-METHOXYETHYL)-2-OXOPYRROLIDIN-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

T991-2111

Molecular Formula

C19H26F2N4O3 (C19 H26 F2 N4 O3)

Compound Name

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

IUPAC name

N-(35-difluorophenyl)-4-[1-(2-methoxyethyl)-2-oxopyrrolidin-3-yl]-14-diazepane-1-carboxamide

SMILES

COCCN(CCC1N(CCC2)CCN2C(Nc2cc(F)cc(F)c2)=O)C1=O

InChI

InChI=1S/C19H26F2N4O3/c1-28-10-9-24-6-3-17(18(24)26)23-4-2-5-25(8-7-23)19(27)22-16-12-14(20)11-15(21)13-16/h11-13,17H,2-10H2,1H3,(H,22,27)/t17-/m0/s1

InChI Key

QTLCJBJZFQMTAU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29032288

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

1.515

Distribution Coefficient, logD

1.206

Water Solubility, LogSw

-2.20

Polar Surface Area

53.982

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

7.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

T991-2111 in Drug Discovery

Included in Screening Libraries

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)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T991-2111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T991-2111?
Check Price and Availability of T991-2111, 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 T991-2111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T991-2111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T991-2111
  • 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 T991-2111 available by request