C779-1137 Screening compound: 1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-(2-phenylpropyl)piperidine-4-carboxamide

C779-1137 Screening compound: 1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-(2-phenylpropyl)piperidine-4-carboxamide
C779-1137 Screening compound: 1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-(2-phenylpropyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1137
1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-(2-phenylpropyl)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

C779-1137

Molecular Formula

C24H29N3O2S (C24 H29 N3 O2 S)

Compound Name

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

IUPAC name

1-{4-ethyl-4H-thieno[32-b]pyrrole-5-carbonyl}-N-(2-phenylpropyl)piperidine-4-carboxamide

SMILES

CCn(c(C(N(CC1)CCC1C(NCC(C)c1ccccc1)=O)=O)c1)c2c1scc2

InChI

InChI=1S/C24H29N3O2S/c1-3-27-20-11-14-30-22(20)15-21(27)24(29)26-12-9-19(10-13-26)23(28)25-16-17(2)18-7-5-4-6-8-18/h4-8,11,14-15,17,19H,3,9-10,12-13,16H2,1-2H3,(H,25,28)/t17-/m0/s1

InChI Key

NUKCRLWPKAKSER-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD28119276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.317

Distribution Coefficient, logD

4.317

Water Solubility, LogSw

-4.03

Polar Surface Area

42.769

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

5.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with C779-1137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1137?
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What is the minimum amount of C779-1137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1137
  • 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 C779-1137 available by request