4088-0056 Screening compound: N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-6-({[(naphthalen-1-yl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide

4088-0056 Screening compound: N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-6-({[(naphthalen-1-yl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide
4088-0056 Screening compound: N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-6-({[(naphthalen-1-yl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4088-0056
N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-6-({[(naphthalen-1-yl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-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

4088-0056

Molecular Formula

C30H23ClN4O3S (C30 H23 ClN4 O3 S)

Compound Name

N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-6-({[(naphthalen-1-yl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide

IUPAC name

N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-6-({[(naphthalen-1-yl)carbamoyl]methyl}sulfanyl)-14-dihydropyridine-3-carboxamide

SMILES

CC(NC(SCC(Nc1cccc2ccccc12)=O)=C(C1c2ccco2)C#N)=C1C(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C30H23ClN4O3S/c1-18-27(29(37)34-21-13-11-20(31)12-14-21)28(25-10-5-15-38-25)23(16-32)30(33-18)39-17-26(36)35-24-9-4-7-19-6-2-3-8-22(19)24/h2-15,28,33H,17H2,1H3,(H,34,37)(H,35,36)/t28-/m0/s1

InChI Key

QCRISTCHMCCFGK-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD02932248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.361

Distribution Coefficient, logD

4.520

Water Solubility, LogSw

-6.18

Polar Surface Area

80.680

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

4088-0056 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 4088-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4088-0056?
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What is the minimum amount of 4088-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4088-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4088-0056
  • 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 4088-0056 available by request