C779-1377 Screening compound: 1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-[3-(morpholin-4-yl)propyl]piperidine-4-carboxamide

C779-1377 Screening compound: 1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-[3-(morpholin-4-yl)propyl]piperidine-4-carboxamide
C779-1377 Screening compound: 1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-[3-(morpholin-4-yl)propyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1377
1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-[3-(morpholin-4-yl)propyl]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

C779-1377

Molecular Formula

C21H30N4O3S (C21 H30 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cn(c(C(N(CC1)CCC1C(NCCCN1CCOCC1)=O)=O)c1)c2c1scc2

InChI

InChI=1S/C21H30N4O3S/c1-23-17-5-14-29-19(17)15-18(23)21(27)25-8-3-16(4-9-25)20(26)22-6-2-7-24-10-12-28-13-11-24/h5,14-16H,2-4,6-13H2,1H3,(H,22,26)

InChI Key

OZGMQGZGQHFPNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.873

Distribution Coefficient, logD

0.450

Water Solubility, LogSw

-2.22

Polar Surface Area

55.587

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

C779-1377 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C779-1377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1377?
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What is the minimum amount of C779-1377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1377
  • 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 C779-1377 available by request