4681-3799 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-N,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

4681-3799 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-N,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
4681-3799 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-N,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4681-3799
4-(3-ethoxy-4-hydroxyphenyl)-N,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

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

4681-3799

Molecular Formula

C15H19N3O3S (C15 H19 N3 O3 S)

Compound Name

4-(3-ethoxy-4-hydroxyphenyl)-N,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

4-(3-ethoxy-4-hydroxyphenyl)-N6-dimethyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CCOc(cc(C(C(C(NC)=O)=C(C)N1)NC1=S)cc1)c1O

InChI

InChI=1S/C15H19N3O3S/c1-4-21-11-7-9(5-6-10(11)19)13-12(14(20)16-3)8(2)17-15(22)18-13/h5-7,13,19H,4H2,1-3H3,(H,16,20)(H2,17,18,22)/t13-/m1/s1

InChI Key

FCBPFSROBUOSAF-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD03083450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.943

Distribution Coefficient, logD

0.941

Water Solubility, LogSw

-2.14

Polar Surface Area

71.268

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4681-3799 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 4681-3799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4681-3799?
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What is the minimum amount of 4681-3799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4681-3799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4681-3799
  • 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 4681-3799 available by request