C779-1787C Screening compound: [4-(4-chlorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]{4-[(4-methylpiperazino)carbonyl]piperidino}methanone

C779-1787C Screening compound: [4-(4-chlorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]{4-[(4-methylpiperazino)carbonyl]piperidino}methanone
C779-1787C Screening compound: [4-(4-chlorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]{4-[(4-methylpiperazino)carbonyl]piperidino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1787C
[4-(4-chlorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]{4-[(4-methylpiperazino)carbonyl]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

C779-1787C

Molecular Formula

C25H29ClN4O2S (C25 H29 ClN4 O2 S)

Compound Name

[4-(4-chlorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]{4-[(4-methylpiperazino)carbonyl]piperidino}methanone

IUPAC name

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

SMILES

CN(CC1)CCN1C(C(CC1)CCN1C(c1cc(scc2)c2n1Cc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C25H29ClN4O2S/c1-27-11-13-29(14-12-27)24(31)19-6-9-28(10-7-19)25(32)22-16-23-21(8-15-33-23)30(22)17-18-2-4-20(26)5-3-18/h2-5,8,15-16,19H,6-7,9-14,17H2,1H3

InChI Key

CMSHAHFGLMYFLR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

485.05

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

3.542

Distribution Coefficient, logD

3.194

Water Solubility, LogSw

-3.89

Polar Surface Area

38.484

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with C779-1787C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1787C?
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What is the minimum amount of C779-1787C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1787C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1787C
  • 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 C779-1787C available by request