8018-6133 Screening compound: 2,3-dimethyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,4-dihydropyridine-2,3-dicarboxylate

8018-6133 Screening compound: 2,3-dimethyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,4-dihydropyridine-2,3-dicarboxylate
8018-6133 Screening compound: 2,3-dimethyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,4-dihydropyridine-2,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6133
2,3-dimethyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,4-dihydropyridine-2,3-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

8018-6133

Molecular Formula

C23H20FN3O5 (C23 H20 FN3 O5)

Compound Name

2,3-dimethyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,4-dihydropyridine-2,3-dicarboxylate

IUPAC name

23-dimethyl 6-amino-5-cyano-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-14-dihydropyridine-23-dicarboxylate

SMILES

COC(C(C1c(cc2)ccc2OC)=C(C(OC)=O)N(c(cc2)ccc2F)C(N)=C1C#N)=O

InChI

InChI=1S/C23H20FN3O5/c1-30-16-10-4-13(5-11-16)18-17(12-25)21(26)27(15-8-6-14(24)7-9-15)20(23(29)32-3)19(18)22(28)31-2/h4-11,18H,26H2,1-3H3/t18-/m0/s1

InChI Key

YUQOLUWQQSOWOX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD07800860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.004

Distribution Coefficient, logD

3.004

Water Solubility, LogSw

-3.30

Polar Surface Area

89.328

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

8018-6133 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-6133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6133?
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What is the minimum amount of 8018-6133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6133
  • 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 8018-6133 available by request