Y020-1690 Screening compound: N-(5-benzoyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)-1,3-benzothiazol-2-amine

Y020-1690 Screening compound: N-(5-benzoyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)-1,3-benzothiazol-2-amine
Y020-1690 Screening compound: N-(5-benzoyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)-1,3-benzothiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-1690
N-(5-benzoyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)-1,3-benzothiazol-2-amine

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

Y020-1690

Molecular Formula

C25H20N4OS (C25 H20 N4 OS)

Compound Name

N-(5-benzoyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)-1,3-benzothiazol-2-amine

IUPAC name

N-(5-benzoyl-6-methyl-4-phenyl-14-dihydropyrimidin-2-yl)-13-benzothiazol-2-amine

SMILES

CC(NC(Nc1nc(cccc2)c2s1)=NC1c2ccccc2)=C1C(c1ccccc1)=O

InChI

InChI=1S/C25H20N4OS/c1-16-21(23(30)18-12-6-3-7-13-18)22(17-10-4-2-5-11-17)28-24(26-16)29-25-27-19-14-8-9-15-20(19)31-25/h2-15,22H,1H3,(H2,26,27,28,29)/t22-/m0/s1

InChI Key

QKDXEEKIOJVLOY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD06755059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.136

Distribution Coefficient, logD

5.282

Water Solubility, LogSw

-5.69

Polar Surface Area

54.356

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

Y020-1690 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y020-1690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-1690?
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What is the minimum amount of Y020-1690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1690
  • 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 Y020-1690 available by request