Y021-1768 Screening compound: 2-{[{[(3-chloro-2-methylanilino)carbothioyl]amino}(imino)methyl]amino}-4,6-dimethylquinazoline

Y021-1768 Screening compound: 2-{[{[(3-chloro-2-methylanilino)carbothioyl]amino}(imino)methyl]amino}-4,6-dimethylquinazoline
Y021-1768 Screening compound: 2-{[{[(3-chloro-2-methylanilino)carbothioyl]amino}(imino)methyl]amino}-4,6-dimethylquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1768
2-{[{[(3-chloro-2-methylanilino)carbothioyl]amino}(imino)methyl]amino}-4,6-dimethylquinazoline

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

Y021-1768

Molecular Formula

C19H19ClN6S (C19 H19 ClN6 S)

Compound Name

2-{[{[(3-chloro-2-methylanilino)carbothioyl]amino}(imino)methyl]amino}-4,6-dimethylquinazoline

IUPAC name

1-(3-chloro-2-methylphenyl)-3-[N-(46-dimethylquinazolin-2-yl)carbamimidoyl]thiourea

SMILES

Cc1ccc2nc(NC(NC(Nc3cccc(Cl)c3C)=S)=N)nc(C)c2c1

InChI

InChI=1S/C19H19ClN6S/c1-10-7-8-16-13(9-10)12(3)22-18(23-16)25-17(21)26-19(27)24-15-6-4-5-14(20)11(15)2/h4-9H,1-3H3,(H4,21,22,23,24,25,26,27)

InChI Key

WZLZOMIKFKIWHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03904336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.434

Distribution Coefficient, logD

2.355

Water Solubility, LogSw

-6.16

Polar Surface Area

66.055

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

10.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

Y021-1768 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y021-1768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1768?
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What is the minimum amount of Y021-1768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1768
  • 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 Y021-1768 available by request