3270-0854 Screening compound: ETHYL 4-(5-BROMO-2,4-DIMETHOXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE

3270-0854 Screening compound: ETHYL 4-(5-BROMO-2,4-DIMETHOXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE
3270-0854 Screening compound: ETHYL 4-(5-BROMO-2,4-DIMETHOXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3270-0854
ETHYL 4-(5-BROMO-2,4-DIMETHOXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE

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

3270-0854

Molecular Formula

C16H19BrN2O4S (C16 H19 BrN2 O4 S)

Compound Name

ETHYL 4-(5-BROMO-2,4-DIMETHOXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE

IUPAC name

n/a

SMILES

CCOC(C(C(c(c(OC)c1)cc(Br)c1OC)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C16H19BrN2O4S/c1-5-23-15(20)13-8(2)18-16(24)19-14(13)9-6-10(17)12(22-4)7-11(9)21-3/h6-7,14H,5H2,1-4H3,(H2,18,19,24)/t14-/m0/s1

InChI Key

DIYHXZHGSOIZNF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01804047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.31

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

3.134

Distribution Coefficient, logD

3.118

Water Solubility, LogSw

-3.29

Polar Surface Area

58.689

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-7.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

3270-0854 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 3270-0854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3270-0854?
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What is the minimum amount of 3270-0854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3270-0854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3270-0854
  • 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 3270-0854 available by request