C779-1481 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

C779-1481 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide
C779-1481 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1481
N-{3-[benzyl(butyl)amino]propyl}-1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-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

C779-1481

Molecular Formula

C28H38N4O2S (C28 H38 N4 O2 S)

Compound Name

N-{3-[benzyl(butyl)amino]propyl}-1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

IUPAC name

N-{3-[benzyl(butyl)amino]propyl}-1-{4-methyl-4H-thieno[32-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

SMILES

CCCCN(CCCNC(C(CC1)CCN1C(c1cc(scc2)c2n1C)=O)=O)Cc1ccccc1

InChI

InChI=1S/C28H38N4O2S/c1-3-4-15-31(21-22-9-6-5-7-10-22)16-8-14-29-27(33)23-11-17-32(18-12-23)28(34)25-20-26-24(30(25)2)13-19-35-26/h5-7,9-10,13,19-20,23H,3-4,8,11-12,14-18,21H2,1-2H3,(H,29,33)

InChI Key

YOXYHEXIZZPKAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.991

Distribution Coefficient, logD

2.372

Water Solubility, LogSw

-3.77

Polar Surface Area

47.636

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

9.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C779-1481 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C779-1481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1481?
Check Price and Availability of C779-1481, 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 C779-1481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1481
  • 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 C779-1481 available by request