8018-3437 Screening compound: 3,5-dimethyl 2,6-dimethyl-4-[4-(2-phenylbutanamido)phenyl]pyridine-3,5-dicarboxylate

8018-3437 Screening compound: 3,5-dimethyl 2,6-dimethyl-4-[4-(2-phenylbutanamido)phenyl]pyridine-3,5-dicarboxylate
8018-3437 Screening compound: 3,5-dimethyl 2,6-dimethyl-4-[4-(2-phenylbutanamido)phenyl]pyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3437
3,5-dimethyl 2,6-dimethyl-4-[4-(2-phenylbutanamido)phenyl]pyridine-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

8018-3437

Molecular Formula

C27H28N2O5 (C27 H28 N2 O5)

Compound Name

3,5-dimethyl 2,6-dimethyl-4-[4-(2-phenylbutanamido)phenyl]pyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 26-dimethyl-4-[4-(2-phenylbutanamido)phenyl]pyridine-35-dicarboxylate

SMILES

CCC(C(Nc(cc1)ccc1-c1c(C(OC)=O)c(C)nc(C)c1C(OC)=O)=O)c1ccccc1

InChI

InChI=1S/C27H28N2O5/c1-6-21(18-10-8-7-9-11-18)25(30)29-20-14-12-19(13-15-20)24-22(26(31)33-4)16(2)28-17(3)23(24)27(32)34-5/h7-15,21H,6H2,1-5H3,(H,29,30)/t21-/m1/s1

InChI Key

NEBJIGBVKOPYIR-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD07658094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.826

Distribution Coefficient, logD

4.826

Water Solubility, LogSw

-4.72

Polar Surface Area

75.175

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

8018-3437 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8018-3437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3437?
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What is the minimum amount of 8018-3437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3437
  • 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 8018-3437 available by request