C908-0467 Screening compound: tert-butyl N-[(6-{3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate

C908-0467 Screening compound: tert-butyl N-[(6-{3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
C908-0467 Screening compound: tert-butyl N-[(6-{3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound C908-0467
tert-butyl N-[(6-{3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate

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

C908-0467

Molecular Formula

C25H30N6O6 (C25 H30 N6 O6)

Compound Name

tert-butyl N-[(6-{3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate

IUPAC name

tert-butyl N-[(6-{2-[(6-acetyl-2H-13-benzodioxol-5-yl)carbamoyl]ethyl}-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl)methyl]carbamate

SMILES

CC(C)(C)OC(NCc1nn2c(C)c(CCC(Nc(cc3OCOc3c3)c3C(C)=O)=O)c(C)nc2n1)=O

InChI

InChI=1S/C25H30N6O6/c1-13-16(7-8-22(33)28-18-10-20-19(35-12-36-20)9-17(18)15(3)32)14(2)31-23(27-13)29-21(30-31)11-26-24(34)37-25(4,5)6/h9-10H,7-8,11-12H2,1-6H3,(H,26,34)(H,28,33)

InChI Key

SOYDCXHILQTNIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.399

Distribution Coefficient, logD

2.284

Water Solubility, LogSw

-2.91

Polar Surface Area

117.364

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with C908-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C908-0467?
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What is the minimum amount of C908-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C908-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C908-0467
  • 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 C908-0467 available by request