8007-0761 Screening compound: methyl 4-[2-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8007-0761 Screening compound: methyl 4-[2-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8007-0761 Screening compound: methyl 4-[2-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-0761
methyl 4-[2-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-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

8007-0761

Molecular Formula

C16H18N2O5S (C16 H18 N2 O5 S)

Compound Name

methyl 4-[2-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 4-[2-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c(cccc2)c2OCC(OC)=O)=S)=C1C(OC)=O

InChI

InChI=1S/C16H18N2O5S/c1-9-13(15(20)22-3)14(18-16(24)17-9)10-6-4-5-7-11(10)23-8-12(19)21-2/h4-7,14H,8H2,1-3H3,(H2,17,18,24)/t14-/m1/s1

InChI Key

AMJHCOISINQYKP-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00828209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.537

Distribution Coefficient, logD

1.521

Water Solubility, LogSw

-2.17

Polar Surface Area

72.013

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-7.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

8007-0761 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8007-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-0761?
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What is the minimum amount of 8007-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-0761
  • 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 8007-0761 available by request