S904-0015 Screening compound: (2-ETHOXYPHENYL)[3-[(2S,4S)-4-HYDROXY-1-ISOPROPYLTETRAHYDRO-1H-PYRROL-2-YL]-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]METHANONE

S904-0015 Screening compound: (2-ETHOXYPHENYL)[3-[(2S,4S)-4-HYDROXY-1-ISOPROPYLTETRAHYDRO-1H-PYRROL-2-YL]-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]METHANONE
S904-0015 Screening compound: (2-ETHOXYPHENYL)[3-[(2S,4S)-4-HYDROXY-1-ISOPROPYLTETRAHYDRO-1H-PYRROL-2-YL]-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S904-0015
(2-ETHOXYPHENYL)[3-[(2S,4S)-4-HYDROXY-1-ISOPROPYLTETRAHYDRO-1H-PYRROL-2-YL]-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]METHANONE

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

S904-0015

Molecular Formula

C21H29N5O3 (C21 H29 N5 O3)

Compound Name

(2-ETHOXYPHENYL)[3-[(2S,4S)-4-HYDROXY-1-ISOPROPYLTETRAHYDRO-1H-PYRROL-2-YL]-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]METHANONE

IUPAC name

n/a

SMILES

CCOc(cccc1)c1C(N1Cc2nnc([C@H](C[C@@H](C3)O)N3C(C)C)n2CC1)=O

InChI

InChI=1S/C21H29N5O3/c1-4-29-18-8-6-5-7-16(18)21(28)24-9-10-25-19(13-24)22-23-20(25)17-11-15(27)12-26(17)14(2)3/h5-8,14-15,17,27H,4,9-13H2,1-3H3/t15-,17+/m1/s1

InChI Key

DHLIKEXQBASKSE-WBVHZDCISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.035

Distribution Coefficient, logD

0.899

Water Solubility, LogSw

-2.36

Polar Surface Area

68.303

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.10

S904-0015 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S904-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S904-0015?
Check Price and Availability of S904-0015, 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 S904-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-0015
  • 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 S904-0015 available by request