1630-0883 Screening compound: methyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1630-0883 Screening compound: methyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1630-0883 Screening compound: methyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0883
methyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-6-methyl-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

1630-0883

Molecular Formula

C14H13ClN2O5 (C14 H13 ClN2 O5)

Compound Name

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

IUPAC name

methyl 4-(6-chloro-2H-13-benzodioxol-5-yl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c(cc2OCOc2c2)c2Cl)=O)=C1C(OC)=O

InChI

InChI=1S/C14H13ClN2O5/c1-6-11(13(18)20-2)12(17-14(19)16-6)7-3-9-10(4-8(7)15)22-5-21-9/h3-4,12H,5H2,1-2H3,(H2,16,17,19)/t12-/m0/s1

InChI Key

VUKNLCGGZWYCES-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00619521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.617

Distribution Coefficient, logD

1.509

Water Solubility, LogSw

-2.45

Polar Surface Area

73.981

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

1630-0883 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1630-0883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0883?
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What is the minimum amount of 1630-0883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0883
  • 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 1630-0883 available by request