4476-3184 Screening compound: propan-2-yl 4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4476-3184 Screening compound: propan-2-yl 4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4476-3184 Screening compound: propan-2-yl 4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-3184
propan-2-yl 4-(3,4-dimethoxyphenyl)-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

4476-3184

Molecular Formula

C17H22N2O4S (C17 H22 N2 O4 S)

Compound Name

propan-2-yl 4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

propan-2-yl 4-(34-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(C)OC(C(C(c(cc1)cc(OC)c1OC)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C17H22N2O4S/c1-9(2)23-16(20)14-10(3)18-17(24)19-15(14)11-6-7-12(21-4)13(8-11)22-5/h6-9,15H,1-5H3,(H2,18,19,24)/t15-/m1/s1

InChI Key

RHBFUVQEKXSBRA-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00548125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.513

Distribution Coefficient, logD

2.497

Water Solubility, LogSw

-3.00

Polar Surface Area

58.368

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-7.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

4476-3184 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 4476-3184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-3184?
Check Price and Availability of 4476-3184, 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 4476-3184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-3184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-3184
  • 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 4476-3184 available by request