1630-0668 Screening compound: 2-methylcyclopentyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1630-0668 Screening compound: 2-methylcyclopentyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1630-0668 Screening compound: 2-methylcyclopentyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0668
2-methylcyclopentyl 4-[4-(dimethylamino)phenyl]-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

1630-0668

Molecular Formula

C20H27N3O2S (C20 H27 N3 O2 S)

Compound Name

2-methylcyclopentyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-methylcyclopentyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(CCC1)C1OC(C(C(c(cc1)ccc1N(C)C)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C20H27N3O2S/c1-12-6-5-7-16(12)25-19(24)17-13(2)21-20(26)22-18(17)14-8-10-15(11-9-14)23(3)4/h8-12,16,18H,5-7H2,1-4H3,(H2,21,22,26)

InChI Key

HKTLETRTGJBYFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00367001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.277

Distribution Coefficient, logD

3.247

Water Solubility, LogSw

-3.63

Polar Surface Area

45.872

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 1630-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0668?
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What is the minimum amount of 1630-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0668
  • 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 1630-0668 available by request