C779-1305 Screening compound: N-(2,2-diethoxyethyl)-1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

C779-1305 Screening compound: N-(2,2-diethoxyethyl)-1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide
C779-1305 Screening compound: N-(2,2-diethoxyethyl)-1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1305
N-(2,2-diethoxyethyl)-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

C779-1305

Molecular Formula

C20H29N3O4S (C20 H29 N3 O4 S)

Compound Name

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

IUPAC name

N-(22-diethoxyethyl)-1-{4-methyl-4H-thieno[32-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

SMILES

CCOC(CNC(C(CC1)CCN1C(c1cc(scc2)c2n1C)=O)=O)OCC

InChI

InChI=1S/C20H29N3O4S/c1-4-26-18(27-5-2)13-21-19(24)14-6-9-23(10-7-14)20(25)16-12-17-15(22(16)3)8-11-28-17/h8,11-12,14,18H,4-7,9-10,13H2,1-3H3,(H,21,24)

InChI Key

JSZSSAAFKZJBKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.631

Distribution Coefficient, logD

1.631

Water Solubility, LogSw

-2.49

Polar Surface Area

58.780

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

C779-1305 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C779-1305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1305?
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What is the minimum amount of C779-1305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1305
  • 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 C779-1305 available by request