8013-6134 Screening compound: 5-[4-(benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-2-(hydroxymethyl)tetrahydro-3-furanyl palmitate

8013-6134 Screening compound: 5-[4-(benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-2-(hydroxymethyl)tetrahydro-3-furanyl palmitate
8013-6134 Screening compound: 5-[4-(benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-2-(hydroxymethyl)tetrahydro-3-furanyl palmitate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6134
5-[4-(benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-2-(hydroxymethyl)tetrahydro-3-furanyl palmitate

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

8013-6134

Molecular Formula

C32H47N3O6 (C32 H47 N3 O6)

Compound Name

5-[4-(benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-2-(hydroxymethyl)tetrahydro-3-furanyl palmitate

IUPAC name

5-(4-benzamido-2-oxo-12-dihydropyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl hexadecanoate

SMILES

CCCCCCCCCCCCCCCC(OC(C1)C(CO)OC1N(C=CC(NC(c1ccccc1)=O)=N1)C1=O)=O

InChI

InChI=1S/C32H47N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-30(37)41-26-23-29(40-27(26)24-36)35-22-21-28(34-32(35)39)33-31(38)25-18-15-14-16-19-25/h14-16,18-19,21-22,26-27,29,36H,2-13,17,20,23-24H2,1H3,(H,33,34,38,39)

InChI Key

MUWZMPRFSQZJBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.74

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

21.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

8.205

Distribution Coefficient, logD

7.947

Water Solubility, LogSw

-5.81

Polar Surface Area

93.715

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

62.50

8013-6134 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8013-6134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6134?
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What is the minimum amount of 8013-6134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6134
  • 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 8013-6134 available by request