T991-1516 Screening compound: 3-[4-(5-chlorothiophene-2-carbonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one

T991-1516 Screening compound: 3-[4-(5-chlorothiophene-2-carbonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one
T991-1516 Screening compound: 3-[4-(5-chlorothiophene-2-carbonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T991-1516
3-[4-(5-chlorothiophene-2-carbonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-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

T991-1516

Molecular Formula

C18H24ClN3O2S (C18 H24 ClN3 O2 S)

Compound Name

3-[4-(5-chlorothiophene-2-carbonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one

IUPAC name

3-[4-(5-chlorothiophene-2-carbonyl)-14-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one

SMILES

O=C(c(s1)ccc1Cl)N(CCC1)CCN1C(CCN1CC2CC2)C1=O

InChI

InChI=1S/C18H24ClN3O2S/c19-16-5-4-15(25-16)18(24)21-8-1-7-20(10-11-21)14-6-9-22(17(14)23)12-13-2-3-13/h4-5,13-14H,1-3,6-12H2/t14-/m0/s1

InChI Key

XRTVAKNEHJJGAQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29028858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.549

Distribution Coefficient, logD

2.361

Water Solubility, LogSw

-2.91

Polar Surface Area

38.110

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

7.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

T991-1516 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T991-1516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T991-1516?
Check Price and Availability of T991-1516, 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 T991-1516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T991-1516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T991-1516
  • 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 T991-1516 available by request