Y020-7997 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-imino-3,4-dihydroquinazoline-2-thiol

Y020-7997 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-imino-3,4-dihydroquinazoline-2-thiol
Y020-7997 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-imino-3,4-dihydroquinazoline-2-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7997
3-[2-(3,4-dimethoxyphenyl)ethyl]-4-imino-3,4-dihydroquinazoline-2-thiol

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

Y020-7997

Molecular Formula

C18H19N3O2S (C18 H19 N3 O2 S)

Compound Name

3-[2-(3,4-dimethoxyphenyl)ethyl]-4-imino-3,4-dihydroquinazoline-2-thiol

IUPAC name

3-[2-(34-dimethoxyphenyl)ethyl]-4-imino-34-dihydroquinazoline-2-thiol

SMILES

COc(ccc(CCN1C(S)=Nc(cccc2)c2C1=N)c1)c1OC

InChI

InChI=1S/C18H19N3O2S/c1-22-15-8-7-12(11-16(15)23-2)9-10-21-17(19)13-5-3-4-6-14(13)20-18(21)24/h3-8,11,19H,9-10H2,1-2H3,(H,20,24)

InChI Key

LZJMJYPFDQZGHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08088903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.505

Distribution Coefficient, logD

2.505

Water Solubility, LogSw

-2.98

Polar Surface Area

44.483

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

14.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

Y020-7997 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y020-7997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7997?
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What is the minimum amount of Y020-7997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7997
  • 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 Y020-7997 available by request