SD67-0199 Screening compound: 9-(2-ethoxyacetyl)-2-isobutyloctahydropyrazino[1,2-a][1,4]diazepine-1,4-dione

SD67-0199 Screening compound: 9-(2-ethoxyacetyl)-2-isobutyloctahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
SD67-0199 Screening compound: 9-(2-ethoxyacetyl)-2-isobutyloctahydropyrazino[1,2-a][1,4]diazepine-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SD67-0199
9-(2-ethoxyacetyl)-2-isobutyloctahydropyrazino[1,2-a][1,4]diazepine-1,4-dione

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

SD67-0199

Molecular Formula

C16H27N3O4 (C16 H27 N3 O4)

Compound Name

9-(2-ethoxyacetyl)-2-isobutyloctahydropyrazino[1,2-a][1,4]diazepine-1,4-dione

IUPAC name

n/a

SMILES

CCOCC(N(CCC1)CC(C(N(CC(C)C)C2)=O)N1C2=O)=O

InChI

InChI=1S/C16H27N3O4/c1-4-23-11-15(21)17-6-5-7-19-13(9-17)16(22)18(8-12(2)3)10-14(19)20/h12-13H,4-11H2,1-3H3/t13-/m0/s1

InChI Key

BNCLMPDNDQJSHJ-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.289

Distribution Coefficient, logD

-0.289

Water Solubility, LogSw

0.16

Polar Surface Area

58.098

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.25

SD67-0199 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 SD67-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD67-0199?
Check Price and Availability of SD67-0199, 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 SD67-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD67-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD67-0199
  • 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 SD67-0199 available by request