Y020-6698 Screening compound: ethyl 4-({4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl)piperazine-1-carboxylate

Y020-6698 Screening compound: ethyl 4-({4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl)piperazine-1-carboxylate
Y020-6698 Screening compound: ethyl 4-({4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6698
ethyl 4-({4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl)piperazine-1-carboxylate

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

Y020-6698

Molecular Formula

C17H22FN7O2 (C17 H22 FN7 O2)

Compound Name

ethyl 4-({4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-({4-amino-6-[(4-fluorophenyl)amino]-135-triazin-2-yl}methyl)piperazine-1-carboxylate

SMILES

CCOC(N1CCN(Cc2nc(Nc(cc3)ccc3F)nc(N)n2)CC1)=O

InChI

InChI=1S/C17H22FN7O2/c1-2-27-17(26)25-9-7-24(8-10-25)11-14-21-15(19)23-16(22-14)20-13-5-3-12(18)4-6-13/h3-6H,2,7-11H2,1H3,(H3,19,20,21,22,23)

InChI Key

BHIYAZOELMZIFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06650175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.133

Distribution Coefficient, logD

2.112

Water Solubility, LogSw

-2.88

Polar Surface Area

88.121

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with Y020-6698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6698?
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What is the minimum amount of Y020-6698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6698
  • 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 Y020-6698 available by request