1630-0795 Screening compound: 4-(4-Bromo-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic aci

1630-0795 Screening compound: 4-(4-Bromo-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic aci
1630-0795 Screening compound: 4-(4-Bromo-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic aci alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0795
4-(4-Bromo-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic aci

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

1630-0795

Molecular Formula

C20H25BrN2O3 (C20 H25 BrN2 O3)

Compound Name

4-(4-Bromo-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic aci

IUPAC name

34-dimethylcyclohexyl 4-(4-bromophenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(CC1)C(C)CC1OC(C(C(c(cc1)ccc1Br)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C20H25BrN2O3/c1-11-4-9-16(10-12(11)2)26-19(24)17-13(3)22-20(25)23-18(17)14-5-7-15(21)8-6-14/h5-8,11-12,16,18H,4,9-10H2,1-3H3,(H2,22,23,25)

InChI Key

MFRQXRPCFADYFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.009

Distribution Coefficient, logD

3.858

Water Solubility, LogSw

-4.15

Polar Surface Area

55.775

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

1630-0795 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 1630-0795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0795?
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What is the minimum amount of 1630-0795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0795
  • 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 1630-0795 available by request