G113-0067 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

G113-0067 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
G113-0067 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G113-0067
2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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

G113-0067

Molecular Formula

C30H30ClN5O5S (C30 H30 ClN5 O5 S)

Compound Name

2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-methyl-7-(345-trimethoxyphenyl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(Nc1nc(SCc(cc2)ccc2Cl)nn1C1c(cc2OC)cc(OC)c2OC)=C1C(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C30H30ClN5O5S/c1-17-25(28(37)33-21-10-12-22(38-2)13-11-21)26(19-14-23(39-3)27(41-5)24(15-19)40-4)36-29(32-17)34-30(35-36)42-16-18-6-8-20(31)9-7-18/h6-15,26H,16H2,1-5H3,(H,33,37)(H,32,34,35)/t26-/m0/s1

InChI Key

OXYPGVOXJQUIKB-SANMLTNESA-N

MDL Number (MFCD)

MFCD14980633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

608.12

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.594

Distribution Coefficient, logD

5.593

Water Solubility, LogSw

-6.05

Polar Surface Area

89.112

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with G113-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G113-0067?
Check Price and Availability of G113-0067, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G113-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G113-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G113-0067
  • 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 G113-0067 available by request