C779-0527 Screening compound: 1-(1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-3-carbonyl)-4-(4-methoxyphenyl)piperazine

C779-0527 Screening compound: 1-(1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-3-carbonyl)-4-(4-methoxyphenyl)piperazine
C779-0527 Screening compound: 1-(1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-3-carbonyl)-4-(4-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-0527
1-(1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-3-carbonyl)-4-(4-methoxyphenyl)piperazine

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

C779-0527

Molecular Formula

C26H32N4O3S (C26 H32 N4 O3 S)

Compound Name

1-(1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-3-carbonyl)-4-(4-methoxyphenyl)piperazine

IUPAC name

1-(1-{4-ethyl-4H-thieno[32-b]pyrrole-5-carbonyl}piperidine-3-carbonyl)-4-(4-methoxyphenyl)piperazine

SMILES

CCn(c(C(N(CCC1)CC1C(N(CC1)CCN1c(cc1)ccc1OC)=O)=O)c1)c2c1scc2

InChI

InChI=1S/C26H32N4O3S/c1-3-30-22-10-16-34-24(22)17-23(30)26(32)29-11-4-5-19(18-29)25(31)28-14-12-27(13-15-28)20-6-8-21(33-2)9-7-20/h6-10,16-17,19H,3-5,11-15,18H2,1-2H3/t19-/m0/s1

InChI Key

XJKVVQMZXQQYMH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14793745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.741

Distribution Coefficient, logD

3.740

Water Solubility, LogSw

-4.02

Polar Surface Area

45.741

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

C779-0527 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C779-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-0527?
Check Price and Availability of C779-0527, 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 C779-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-0527
  • 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 C779-0527 available by request