V009-1698 Screening compound: ethyl 4-(4-{[(3,4-dimethylphenyl)carbamoyl]amino}phenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V009-1698 Screening compound: ethyl 4-(4-{[(3,4-dimethylphenyl)carbamoyl]amino}phenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V009-1698 Screening compound: ethyl 4-(4-{[(3,4-dimethylphenyl)carbamoyl]amino}phenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-1698
ethyl 4-(4-{[(3,4-dimethylphenyl)carbamoyl]amino}phenyl)-1-ethyl-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

V009-1698

Molecular Formula

C25H30N4O3S (C25 H30 N4 O3 S)

Compound Name

ethyl 4-(4-{[(3,4-dimethylphenyl)carbamoyl]amino}phenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(4-{[(34-dimethylphenyl)carbamoyl]amino}phenyl)-1-ethyl-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(C)=C(C(c(cc1)ccc1NC(Nc1cc(C)c(C)cc1)=O)N1)C(OCC)=O)C1=S

InChI

InChI=1S/C25H30N4O3S/c1-6-29-17(5)21(23(30)32-7-2)22(28-25(29)33)18-9-12-19(13-10-18)26-24(31)27-20-11-8-15(3)16(4)14-20/h8-14,22H,6-7H2,1-5H3,(H,28,33)(H2,26,27,31)/t22-/m1/s1

InChI Key

AOPKFKYVDOJOQI-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19726564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.455

Distribution Coefficient, logD

5.455

Water Solubility, LogSw

-5.33

Polar Surface Area

67.528

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

V009-1698 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V009-1698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-1698?
Check Price and Availability of V009-1698, 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 V009-1698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-1698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-1698
  • 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 V009-1698 available by request