L642-0612 Screening compound: 1-{[6-(3-chlorobenzyl)-6H-thieno[2,3-b]pyrrol-5-yl]carbonyl}-N~3~-cycloheptyl-3-piperidinecarboxamide

L642-0612 Screening compound: 1-{[6-(3-chlorobenzyl)-6H-thieno[2,3-b]pyrrol-5-yl]carbonyl}-N~3~-cycloheptyl-3-piperidinecarboxamide
L642-0612 Screening compound: 1-{[6-(3-chlorobenzyl)-6H-thieno[2,3-b]pyrrol-5-yl]carbonyl}-N~3~-cycloheptyl-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L642-0612
1-{[6-(3-chlorobenzyl)-6H-thieno[2,3-b]pyrrol-5-yl]carbonyl}-N~3~-cycloheptyl-3-piperidinecarboxamide

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

L642-0612

Molecular Formula

C27H32ClN3O2S (C27 H32 ClN3 O2 S)

Compound Name

1-{[6-(3-chlorobenzyl)-6H-thieno[2,3-b]pyrrol-5-yl]carbonyl}-N~3~-cycloheptyl-3-piperidinecarboxamide

IUPAC name

1-{6-[(3-chlorophenyl)methyl]-6H-thieno[23-b]pyrrole-5-carbonyl}-N-cycloheptylpiperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1C(c(n1Cc2cccc(Cl)c2)cc2c1scc2)=O)NC1CCCCCC1

InChI

InChI=1S/C27H32ClN3O2S/c28-22-9-5-7-19(15-22)17-31-24(16-20-12-14-34-27(20)31)26(33)30-13-6-8-21(18-30)25(32)29-23-10-3-1-2-4-11-23/h5,7,9,12,14-16,21,23H,1-4,6,8,10-11,13,17-18H2,(H,29,32)/t21-/m0/s1

InChI Key

IAJQKMDVABGDRX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15132566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.09

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.043

Distribution Coefficient, logD

6.043

Water Solubility, LogSw

-6.31

Polar Surface Area

42.597

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.15

L642-0612 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L642-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L642-0612?
Check Price and Availability of L642-0612, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L642-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L642-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L642-0612
  • 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 L642-0612 available by request