Y021-1333 Screening compound: 4-(5-methyl-2-thienyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

Y021-1333 Screening compound: 4-(5-methyl-2-thienyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine
Y021-1333 Screening compound: 4-(5-methyl-2-thienyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1333
4-(5-methyl-2-thienyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-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

Y021-1333

Molecular Formula

C14H13N5S (C14 H13 N5 S)

Compound Name

4-(5-methyl-2-thienyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

IUPAC name

13-(5-methylthiophen-2-yl)-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-246811-pentaen-11-amine

SMILES

Cc1ccc(C2N=C(N)Nc3nc(cccc4)c4n23)s1

InChI

InChI=1S/C14H13N5S/c1-8-6-7-11(20-8)12-17-13(15)18-14-16-9-4-2-3-5-10(9)19(12)14/h2-7,12H,1H3,(H3,15,16,17,18)/t12-/m1/s1

InChI Key

UQNQKBYHVFARND-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD07115430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.050

Distribution Coefficient, logD

-0.066

Water Solubility, LogSw

-3.07

Polar Surface Area

57.317

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

10.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.29

Y021-1333 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with Y021-1333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1333?
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What is the minimum amount of Y021-1333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1333
  • 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 Y021-1333 available by request