C779-1537 Screening compound: 2-methyl-4-(1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)-1-(3-methylphenyl)piperazine

C779-1537 Screening compound: 2-methyl-4-(1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)-1-(3-methylphenyl)piperazine
C779-1537 Screening compound: 2-methyl-4-(1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)-1-(3-methylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1537
2-methyl-4-(1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)-1-(3-methylphenyl)piperazine

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

C779-1537

Molecular Formula

C26H32N4O2S (C26 H32 N4 O2 S)

Compound Name

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

IUPAC name

2-methyl-4-(1-{4-methyl-4H-thieno[32-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)-1-(3-methylphenyl)piperazine

SMILES

CC(CN(CC1)C(C(CC2)CCN2C(c2cc(scc3)c3n2C)=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C26H32N4O2S/c1-18-5-4-6-21(15-18)30-13-12-29(17-19(30)2)25(31)20-7-10-28(11-8-20)26(32)23-16-24-22(27(23)3)9-14-33-24/h4-6,9,14-16,19-20H,7-8,10-13,17H2,1-3H3/t19-/m0/s1

InChI Key

WOVOGKUAIMHWFW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD26966323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.847

Distribution Coefficient, logD

3.846

Water Solubility, LogSw

-3.82

Polar Surface Area

38.568

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

C779-1537 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C779-1537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1537?
Check Price and Availability of C779-1537, 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 C779-1537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1537
  • 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 C779-1537 available by request