3132-0141 Screening compound: prop-2-en-1-yl 5-cyano-2-methyl-6-sulfanyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate

3132-0141 Screening compound: prop-2-en-1-yl 5-cyano-2-methyl-6-sulfanyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
3132-0141 Screening compound: prop-2-en-1-yl 5-cyano-2-methyl-6-sulfanyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3132-0141
prop-2-en-1-yl 5-cyano-2-methyl-6-sulfanyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate

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

3132-0141

Molecular Formula

C15H14N2O2S2 (C15 H14 N2 O2 S2)

Compound Name

prop-2-en-1-yl 5-cyano-2-methyl-6-sulfanyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate

IUPAC name

prop-2-en-1-yl 5-cyano-2-methyl-6-sulfanyl-4-(thiophen-2-yl)-14-dihydropyridine-3-carboxylate

SMILES

CC(NC(S)=C(C1c2cccs2)C#N)=C1C(OCC=C)=O

InChI

InChI=1S/C15H14N2O2S2/c1-3-6-19-15(18)12-9(2)17-14(20)10(8-16)13(12)11-5-4-7-21-11/h3-5,7,13,17,20H,1,6H2,2H3/t13-/m0/s1

InChI Key

ZCNUWAHXHFHFBQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01242840

Chemical and Physical Properties

Saltdata

O(CH2CH2)2NH

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.582

Distribution Coefficient, logD

-1.745

Water Solubility, LogSw

-3.00

Polar Surface Area

49.560

Acid Dissociation Constant (pKa)

3.07

Base Dissociation Constant (pKb)

-5.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

3132-0141 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3132-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3132-0141?
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What is the minimum amount of 3132-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3132-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3132-0141
  • 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 3132-0141 available by request