4896-3490 Screening compound: ethyl 4-(2-chloro-4,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4896-3490 Screening compound: ethyl 4-(2-chloro-4,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4896-3490 Screening compound: ethyl 4-(2-chloro-4,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-3490
ethyl 4-(2-chloro-4,5-dimethoxyphenyl)-6-phenyl-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

4896-3490

Molecular Formula

C21H21ClN2O4S (C21 H21 ClN2 O4 S)

Compound Name

ethyl 4-(2-chloro-4,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(2-chloro-45-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc(c(OC)c1)OC)c1Cl)N1)=C(c2ccccc2)NC1=S)=O

InChI

InChI=1S/C21H21ClN2O4S/c1-4-28-20(25)17-18(12-8-6-5-7-9-12)23-21(29)24-19(17)13-10-15(26-2)16(27-3)11-14(13)22/h5-11,19H,4H2,1-3H3,(H2,23,24,29)/t19-/m0/s1

InChI Key

LPACSARIQFCCLV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01929870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.851

Distribution Coefficient, logD

3.575

Water Solubility, LogSw

-4.28

Polar Surface Area

58.918

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

-9.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

4896-3490 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4896-3490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-3490?
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What is the minimum amount of 4896-3490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-3490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-3490
  • 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 4896-3490 available by request