C779-1691 Screening compound: [4-(4-fluorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl][4-(morpholinocarbonyl)piperidino]methanone

C779-1691 Screening compound: [4-(4-fluorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl][4-(morpholinocarbonyl)piperidino]methanone
C779-1691 Screening compound: [4-(4-fluorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl][4-(morpholinocarbonyl)piperidino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1691
[4-(4-fluorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl][4-(morpholinocarbonyl)piperidino]methanone

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

C779-1691

Molecular Formula

C24H26FN3O3S (C24 H26 FN3 O3 S)

Compound Name

[4-(4-fluorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl][4-(morpholinocarbonyl)piperidino]methanone

IUPAC name

4-(1-{4-[(4-fluorophenyl)methyl]-4H-thieno[32-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)morpholine

SMILES

O=C(C(CC1)CCN1C(c1cc(scc2)c2n1Cc(cc1)ccc1F)=O)N1CCOCC1

InChI

InChI=1S/C24H26FN3O3S/c25-19-3-1-17(2-4-19)16-28-20-7-14-32-22(20)15-21(28)24(30)26-8-5-18(6-9-26)23(29)27-10-12-31-13-11-27/h1-4,7,14-15,18H,5-6,8-13,16H2

InChI Key

XKUHKALAVLTPTR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.000

Distribution Coefficient, logD

3.000

Water Solubility, LogSw

-3.08

Polar Surface Area

42.916

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

C779-1691 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C779-1691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1691?
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What is the minimum amount of C779-1691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1691
  • 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 C779-1691 available by request