C779-1040 Screening compound: N-(2,2-diethoxyethyl)-1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

C779-1040 Screening compound: N-(2,2-diethoxyethyl)-1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide
C779-1040 Screening compound: N-(2,2-diethoxyethyl)-1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1040
N-(2,2-diethoxyethyl)-1-{4-ethyl-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

C779-1040

Molecular Formula

C21H31N3O4S (C21 H31 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H31N3O4S/c1-4-24-16-9-12-29-18(16)13-17(24)21(26)23-10-7-15(8-11-23)20(25)22-14-19(27-5-2)28-6-3/h9,12-13,15,19H,4-8,10-11,14H2,1-3H3,(H,22,25)

InChI Key

BBNFMFAHZXHSAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.245

Distribution Coefficient, logD

2.245

Water Solubility, LogSw

-2.73

Polar Surface Area

57.694

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

5.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

C779-1040 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 C779-1040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1040?
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What is the minimum amount of C779-1040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1040
  • 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 C779-1040 available by request