1630-0273 Screening compound: hexyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1630-0273 Screening compound: hexyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1630-0273 Screening compound: hexyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0273
hexyl 6-methyl-4-(2-propoxyphenyl)-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

1630-0273

Molecular Formula

C21H30N2O3S (C21 H30 N2 O3 S)

Compound Name

hexyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

hexyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCCCCOC(C(C(c(cccc1)c1OCCC)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C21H30N2O3S/c1-4-6-7-10-14-26-20(24)18-15(3)22-21(27)23-19(18)16-11-8-9-12-17(16)25-13-5-2/h8-9,11-12,19H,4-7,10,13-14H2,1-3H3,(H2,22,23,27)/t19-/m1/s1

InChI Key

JBNURVXEEZRALU-LJQANCHMSA-N

MDL Number (MFCD)

MFCD00354517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.654

Distribution Coefficient, logD

5.638

Water Solubility, LogSw

-5.27

Polar Surface Area

51.226

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-7.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

1630-0273 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1630-0273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0273?
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What is the minimum amount of 1630-0273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0273
  • 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 1630-0273 available by request