1630-0836 Screening compound: ethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1630-0836 Screening compound: ethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1630-0836 Screening compound: ethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0836
ethyl 4-(4-hydroxy-3-nitrophenyl)-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

1630-0836

Molecular Formula

C14H15N3O6 (C14 H15 N3 O6)

Compound Name

ethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)cc([N+]([O-])=O)c1O)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C14H15N3O6/c1-3-23-13(19)11-7(2)15-14(20)16-12(11)8-4-5-10(18)9(6-8)17(21)22/h4-6,12,18H,3H2,1-2H3,(H2,15,16,20)/t12-/m0/s1

InChI Key

JCMCKDMBSHKVHO-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00512814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.29

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.509

Distribution Coefficient, logD

0.948

Water Solubility, LogSw

-2.20

Polar Surface Area

106.074

Acid Dissociation Constant (pKa)

6.98

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

1630-0836 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1630-0836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0836?
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What is the minimum amount of 1630-0836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0836
  • 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 1630-0836 available by request