C779-1496 Screening compound: N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

C779-1496 Screening compound: N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide
C779-1496 Screening compound: N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1496
N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-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

C779-1496

Molecular Formula

C26H40N4O2S (C26 H40 N4 O2 S)

Compound Name

N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

IUPAC name

N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-1-{4-methyl-4H-thieno[32-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

SMILES

CCC(C)N(CCNC(C(CC1)CCN1C(c1cc(scc2)c2n1C)=O)=O)C1CCCCC1

InChI

InChI=1S/C26H40N4O2S/c1-4-19(2)30(21-8-6-5-7-9-21)16-13-27-25(31)20-10-14-29(15-11-20)26(32)23-18-24-22(28(23)3)12-17-33-24/h12,17-21H,4-11,13-16H2,1-3H3,(H,27,31)/t19-/m0/s1

InChI Key

BRSVDZSBCXWDIL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD26966322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.252

Distribution Coefficient, logD

1.986

Water Solubility, LogSw

-3.96

Polar Surface Area

46.122

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

9.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.20

C779-1496 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C779-1496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1496?
Check Price and Availability of C779-1496, 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 C779-1496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1496
  • 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 C779-1496 available by request