5071-7814 Screening compound: 3,5-dimethyl 4-(5-chlorothiophen-2-yl)-1-(2-methoxyethyl)-1,4-dihydropyridine-3,5-dicarboxylate

5071-7814 Screening compound: 3,5-dimethyl 4-(5-chlorothiophen-2-yl)-1-(2-methoxyethyl)-1,4-dihydropyridine-3,5-dicarboxylate
5071-7814 Screening compound: 3,5-dimethyl 4-(5-chlorothiophen-2-yl)-1-(2-methoxyethyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5071-7814
3,5-dimethyl 4-(5-chlorothiophen-2-yl)-1-(2-methoxyethyl)-1,4-dihydropyridine-3,5-dicarboxylate

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

5071-7814

Molecular Formula

C16H18ClNO5S (C16 H18 ClNO5 S)

Compound Name

3,5-dimethyl 4-(5-chlorothiophen-2-yl)-1-(2-methoxyethyl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 4-(5-chlorothiophen-2-yl)-1-(2-methoxyethyl)-14-dihydropyridine-35-dicarboxylate

SMILES

COCCN(C=C(C1c(s2)ccc2Cl)C(OC)=O)C=C1C(OC)=O

InChI

InChI=1S/C16H18ClNO5S/c1-21-7-6-18-8-10(15(19)22-2)14(11(9-18)16(20)23-3)12-4-5-13(17)24-12/h4-5,8-9,14H,6-7H2,1-3H3

InChI Key

RXOIWVZNDCFWBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.470

Distribution Coefficient, logD

2.470

Water Solubility, LogSw

-2.94

Polar Surface Area

54.887

Acid Dissociation Constant (pKa)

29.39

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

5071-7814 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5071-7814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5071-7814?
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What is the minimum amount of 5071-7814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5071-7814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5071-7814
  • 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 5071-7814 available by request