Y021-3102 Screening compound: ETHYL 7-METHYL-2-[(4-METHYLBENZYL)SULFANYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE

Y021-3102 Screening compound: ETHYL 7-METHYL-2-[(4-METHYLBENZYL)SULFANYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
Y021-3102 Screening compound: ETHYL 7-METHYL-2-[(4-METHYLBENZYL)SULFANYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-3102
ETHYL 7-METHYL-2-[(4-METHYLBENZYL)SULFANYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-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

Y021-3102

Molecular Formula

C17H18N4O2S (C17 H18 N4 O2 S)

Compound Name

ETHYL 7-METHYL-2-[(4-METHYLBENZYL)SULFANYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE

IUPAC name

n/a

SMILES

CCOC(c(cnc1n2)c(C)n1nc2SCc1ccc(C)cc1)=O

InChI

InChI=1S/C17H18N4O2S/c1-4-23-15(22)14-9-18-16-19-17(20-21(16)12(14)3)24-10-13-7-5-11(2)6-8-13/h5-9H,4,10H2,1-3H3

InChI Key

GJWCEHXPVBWFIG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.137

Distribution Coefficient, logD

3.137

Water Solubility, LogSw

-3.13

Polar Surface Area

50.525

Acid Dissociation Constant (pKa)

21.53

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with Y021-3102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-3102?
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What is the minimum amount of Y021-3102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-3102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-3102
  • 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 Y021-3102 available by request