S625-0011 Screening compound: 1-[3-[(2S,4R)-4-hydroxy-1-methyltetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-3-methyl-1-butanone

S625-0011 Screening compound: 1-[3-[(2S,4R)-4-hydroxy-1-methyltetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-3-methyl-1-butanone
S625-0011 Screening compound: 1-[3-[(2S,4R)-4-hydroxy-1-methyltetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-3-methyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S625-0011
1-[3-[(2S,4R)-4-hydroxy-1-methyltetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-3-methyl-1-butanone

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

S625-0011

Molecular Formula

C15H25N5O2 (C15 H25 N5 O2)

Compound Name

1-[3-[(2S,4R)-4-hydroxy-1-methyltetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-3-methyl-1-butanone

IUPAC name

n/a

SMILES

CC(C)CC(N1Cc2nnc([C@H](C3)N(C)C[C@@H]3O)n2CC1)=O

InChI

InChI=1S/C15H25N5O2/c1-10(2)6-14(22)19-4-5-20-13(9-19)16-17-15(20)12-7-11(21)8-18(12)3/h10-12,21H,4-9H2,1-3H3/t11-,12-/m0/s1

InChI Key

CXUAVMCKYYRISJ-RYUDHWBXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.399

Distribution Coefficient, logD

-0.445

Water Solubility, LogSw

-0.18

Polar Surface Area

60.666

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

80.00

References: we are preparing a list of scientific research reports with S625-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S625-0011?
Check Price and Availability of S625-0011, 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 S625-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S625-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S625-0011
  • 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 S625-0011 available by request