K837-0977 Screening compound: 3,5-diethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate

K837-0977 Screening compound: 3,5-diethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
K837-0977 Screening compound: 3,5-diethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K837-0977
3,5-diethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-[(4-fluorophenyl)methyl]-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

K837-0977

Molecular Formula

C26H27FN2O8 (C26 H27 FN2 O8)

Compound Name

3,5-diethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-diethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-[(4-fluorophenyl)methyl]-14-dihydropyridine-35-dicarboxylate

SMILES

CCOC(C(C1c(cc2[N+]([O-])=O)cc(OCC)c2O)=CN(Cc(cc2)ccc2F)C=C1C(OCC)=O)=O

InChI

InChI=1S/C26H27FN2O8/c1-4-35-22-12-17(11-21(24(22)30)29(33)34)23-19(25(31)36-5-2)14-28(15-20(23)26(32)37-6-3)13-16-7-9-18(27)10-8-16/h7-12,14-15,23,30H,4-6,13H2,1-3H3

InChI Key

HJIHIGASANNGBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04057006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.713

Distribution Coefficient, logD

4.534

Water Solubility, LogSw

-4.41

Polar Surface Area

100.206

Acid Dissociation Constant (pKa)

7.69

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

K837-0977 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K837-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K837-0977?
Check Price and Availability of K837-0977, 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 K837-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K837-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K837-0977
  • 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 K837-0977 available by request