1630-1651 Screening compound: methyl 4-(2H-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1630-1651 Screening compound: methyl 4-(2H-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1630-1651 Screening compound: methyl 4-(2H-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-1651
methyl 4-(2H-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-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

1630-1651

Molecular Formula

C15H16N2O5 (C15 H16 N2 O5)

Compound Name

methyl 4-(2H-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 4-(2H-13-benzodioxol-5-yl)-16-dimethyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(N(C)C(NC1c(cc2)cc3c2OCO3)=O)=C1C(OC)=O

InChI

InChI=1S/C15H16N2O5/c1-8-12(14(18)20-3)13(16-15(19)17(8)2)9-4-5-10-11(6-9)22-7-21-10/h4-6,13H,7H2,1-3H3,(H,16,19)/t13-/m1/s1

InChI Key

KUDRBJCDTCKBDK-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD00548130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.614

Distribution Coefficient, logD

1.614

Water Solubility, LogSw

-2.02

Polar Surface Area

65.964

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

-4.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

1630-1651 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

KRAS-Targeted Library (16000 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1630-1651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1651?
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What is the minimum amount of 1630-1651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1651
  • 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 1630-1651 available by request