8013-1273 Screening compound: 3,5-dimethyl 4-(3-fluorophenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-dihydropyridine-3,5-dicarboxylate

8013-1273 Screening compound: 3,5-dimethyl 4-(3-fluorophenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-dihydropyridine-3,5-dicarboxylate
8013-1273 Screening compound: 3,5-dimethyl 4-(3-fluorophenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1273
3,5-dimethyl 4-(3-fluorophenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-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

8013-1273

Molecular Formula

C22H25FN2O5 (C22 H25 FN2 O5)

Compound Name

3,5-dimethyl 4-(3-fluorophenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 4-(3-fluorophenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C1c2cccc(F)c2)=CN(CCCN(CCC2)C2=O)C=C1C(OC)=O)=O

InChI

InChI=1S/C22H25FN2O5/c1-29-21(27)17-13-24(9-5-11-25-10-4-8-19(25)26)14-18(22(28)30-2)20(17)15-6-3-7-16(23)12-15/h3,6-7,12-14,20H,4-5,8-11H2,1-2H3

InChI Key

CHYUQLWBUTYHQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.529

Distribution Coefficient, logD

1.529

Water Solubility, LogSw

-1.82

Polar Surface Area

62.767

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

8013-1273 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 8013-1273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1273?
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What is the minimum amount of 8013-1273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1273
  • 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 8013-1273 available by request