E749-0010 Screening compound: ethyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

E749-0010 Screening compound: ethyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
E749-0010 Screening compound: ethyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E749-0010
ethyl 6-[(2,3-dihydro-1H-indol-1-yl)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

E749-0010

Molecular Formula

C20H21N3O3S (C20 H21 N3 O3 S)

Compound Name

ethyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-[(23-dihydro-1H-indol-1-yl)methyl]-2-oxo-4-(thiophen-2-yl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1cccs1)N1)=C(CN(CC2)c3c2cccc3)NC1=O)=O

InChI

InChI=1S/C20H21N3O3S/c1-2-26-19(24)17-14(12-23-10-9-13-6-3-4-7-15(13)23)21-20(25)22-18(17)16-8-5-11-27-16/h3-8,11,18H,2,9-10,12H2,1H3,(H2,21,22,25)/t18-/m0/s1

InChI Key

HYFLFCBXYMGOQF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14914986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.862

Distribution Coefficient, logD

2.862

Water Solubility, LogSw

-3.36

Polar Surface Area

60.999

Acid Dissociation Constant (pKa)

5.17

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

E749-0010 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E749-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E749-0010?
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What is the minimum amount of E749-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E749-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E749-0010
  • 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 E749-0010 available by request