0980-0401 Screening compound: 2-ethylbutyl 4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

0980-0401 Screening compound: 2-ethylbutyl 4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
0980-0401 Screening compound: 2-ethylbutyl 4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0980-0401
2-ethylbutyl 4-(3-bromo-4-methoxyphenyl)-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

0980-0401

Molecular Formula

C19H25BrN2O4 (C19 H25 BrN2 O4)

Compound Name

2-ethylbutyl 4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-ethylbutyl 4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCC(CC)COC(C(C(c(cc1)cc(Br)c1OC)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C19H25BrN2O4/c1-5-12(6-2)10-26-18(23)16-11(3)21-19(24)22-17(16)13-7-8-15(25-4)14(20)9-13/h7-9,12,17H,5-6,10H2,1-4H3,(H2,21,22,24)/t17-/m0/s1

InChI Key

CEMDODFBVVTCOD-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00365902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.896

Distribution Coefficient, logD

3.746

Water Solubility, LogSw

-4.31

Polar Surface Area

64.451

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

0980-0401 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0980-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0980-0401?
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What is the minimum amount of 0980-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0980-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0980-0401
  • 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 0980-0401 available by request