4896-3764 Screening compound: methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4896-3764 Screening compound: methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4896-3764 Screening compound: methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-3764
methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-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

4896-3764

Molecular Formula

C15H17IN2O4S (C15 H17 IN2 O4 S)

Compound Name

methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOc1cc(C(C(C(OC)=O)=C(C)N2)NC2=S)cc(I)c1O

InChI

InChI=1S/C15H17IN2O4S/c1-4-22-10-6-8(5-9(16)13(10)19)12-11(14(20)21-3)7(2)17-15(23)18-12/h5-6,12,19H,4H2,1-3H3,(H2,17,18,23)/t12-/m0/s1

InChI Key

ZQBNDXCEMFDPRI-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02168353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.083

Distribution Coefficient, logD

3.060

Water Solubility, LogSw

-3.20

Polar Surface Area

66.537

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-6.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4896-3764 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4896-3764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-3764?
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What is the minimum amount of 4896-3764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-3764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-3764
  • 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 4896-3764 available by request