E749-0107 Screening compound: ethyl 6-({cyclopentyl[(furan-2-yl)methyl]amino}methyl)-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

E749-0107 Screening compound: ethyl 6-({cyclopentyl[(furan-2-yl)methyl]amino}methyl)-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
E749-0107 Screening compound: ethyl 6-({cyclopentyl[(furan-2-yl)methyl]amino}methyl)-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E749-0107
ethyl 6-({cyclopentyl[(furan-2-yl)methyl]amino}methyl)-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

E749-0107

Molecular Formula

C22H27N3O4S (C22 H27 N3 O4 S)

Compound Name

ethyl 6-({cyclopentyl[(furan-2-yl)methyl]amino}methyl)-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-({cyclopentyl[(furan-2-yl)methyl]amino}methyl)-2-oxo-4-(thiophen-2-yl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1cccs1)N1)=C(CN(Cc2ccco2)C2CCCC2)NC1=O)=O

InChI

InChI=1S/C22H27N3O4S/c1-2-28-21(26)19-17(23-22(27)24-20(19)18-10-6-12-30-18)14-25(15-7-3-4-8-15)13-16-9-5-11-29-16/h5-6,9-12,15,20H,2-4,7-8,13-14H2,1H3,(H2,23,24,27)/t20-/m0/s1

InChI Key

VZOYQFCORUGWIV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14915020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.216

Distribution Coefficient, logD

3.216

Water Solubility, LogSw

-3.36

Polar Surface Area

68.762

Acid Dissociation Constant (pKa)

5.92

Base Dissociation Constant (pKb)

10.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with E749-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E749-0107?
Check Price and Availability of E749-0107, 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 E749-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E749-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E749-0107
  • 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 E749-0107 available by request