1630-0800 Screening compound: 2-methylcyclopentyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1630-0800 Screening compound: 2-methylcyclopentyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1630-0800 Screening compound: 2-methylcyclopentyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0800
2-methylcyclopentyl 4-(2,5-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

1630-0800

Molecular Formula

C20H26N2O4S (C20 H26 N2 O4 S)

Compound Name

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

IUPAC name

2-methylcyclopentyl 4-(25-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(CCC1)C1OC(C(C(c(cc(cc1)OC)c1OC)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C20H26N2O4S/c1-11-6-5-7-15(11)26-19(23)17-12(2)21-20(27)22-18(17)14-10-13(24-3)8-9-16(14)25-4/h8-11,15,18H,5-7H2,1-4H3,(H2,21,22,27)

InChI Key

RZDOTCZXBHELGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.5

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

3.466

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-3.85

Polar Surface Area

58.241

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-7.30

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 1630-0800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0800?
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What is the minimum amount of 1630-0800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0800
  • 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 1630-0800 available by request