8018-4163 Screening compound: 1-benzyl-2-(4-bromophenyl)-5,7-dimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-4-one

8018-4163 Screening compound: 1-benzyl-2-(4-bromophenyl)-5,7-dimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-4-one
8018-4163 Screening compound: 1-benzyl-2-(4-bromophenyl)-5,7-dimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4163
1-benzyl-2-(4-bromophenyl)-5,7-dimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-4-one

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

8018-4163

Molecular Formula

C22H20BrN3O (C22 H20 BrN3 O)

Compound Name

1-benzyl-2-(4-bromophenyl)-5,7-dimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-4-one

IUPAC name

1-benzyl-2-(4-bromophenyl)-57-dimethyl-1H2H3H4H-pyrido[23-d]pyrimidin-4-one

SMILES

Cc1c(C(NC(c(cc2)ccc2Br)N2Cc3ccccc3)=O)c2nc(C)c1

InChI

InChI=1S/C22H20BrN3O/c1-14-12-15(2)24-21-19(14)22(27)25-20(17-8-10-18(23)11-9-17)26(21)13-16-6-4-3-5-7-16/h3-12,20H,13H2,1-2H3,(H,25,27)/t20-/m0/s1

InChI Key

UMLAXAVCNXBCJE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD07658611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.150

Distribution Coefficient, logD

5.150

Water Solubility, LogSw

-5.09

Polar Surface Area

36.786

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

8018-4163 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-4163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4163?
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What is the minimum amount of 8018-4163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4163
  • 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 8018-4163 available by request