G642-1738 Screening compound: 4-(3-acetyl-5-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(acetyloxy)phenyl acetate

G642-1738 Screening compound: 4-(3-acetyl-5-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(acetyloxy)phenyl acetate
G642-1738 Screening compound: 4-(3-acetyl-5-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(acetyloxy)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-1738
4-(3-acetyl-5-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(acetyloxy)phenyl acetate

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

G642-1738

Molecular Formula

C22H22N6O6 (C22 H22 N6 O6)

Compound Name

4-(3-acetyl-5-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(acetyloxy)phenyl acetate

IUPAC name

4-(3-acetyl-5-{57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}-2-methyl-23-dihydro-134-oxadiazol-2-yl)-3-(acetyloxy)phenyl acetate

SMILES

CC1(c(ccc(OC(C)=O)c2)c2OC(C)=O)OC(c2nn3c(C)cc(C)nc3n2)=NN1C(C)=O

InChI

InChI=1S/C22H22N6O6/c1-11-9-12(2)27-21(23-11)24-19(25-27)20-26-28(13(3)29)22(6,34-20)17-8-7-16(32-14(4)30)10-18(17)33-15(5)31/h7-10H,1-6H3/t22-/m0/s1

InChI Key

SHNBTPDSLOMLGB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15025265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.45

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.818

Distribution Coefficient, logD

0.818

Water Solubility, LogSw

-2.12

Polar Surface Area

106.562

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

G642-1738 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 G642-1738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-1738?
Check Price and Availability of G642-1738, 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 G642-1738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-1738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-1738
  • 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 G642-1738 available by request