SD15-0415 Screening compound: (5aS,9aS)-8-(1H-indol-3-ylcarbonyl)-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione

SD15-0415 Screening compound: (5aS,9aS)-8-(1H-indol-3-ylcarbonyl)-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
SD15-0415 Screening compound: (5aS,9aS)-8-(1H-indol-3-ylcarbonyl)-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SD15-0415
(5aS,9aS)-8-(1H-indol-3-ylcarbonyl)-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-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

SD15-0415

Molecular Formula

C19H22N4O3 (C19 H22 N4 O3)

Compound Name

(5aS,9aS)-8-(1H-indol-3-ylcarbonyl)-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione

IUPAC name

(5aS9aS)-8-(1H-indole-3-carbonyl)-14-dimethyl-decahydro-1H-pyrido[34-e][14]diazepine-25-dione

SMILES

CN(CC(N(C)[C@@H](C1)[C@H]2CCN1C(c1c[nH]c3c1cccc3)=O)=O)C2=O

InChI

InChI=1S/C19H22N4O3/c1-21-11-17(24)22(2)16-10-23(8-7-13(16)18(21)25)19(26)14-9-20-15-6-4-3-5-12(14)15/h3-6,9,13,16,20H,7-8,10-11H2,1-2H3/t13-,16+/m1/s1

InChI Key

HRGNZWLIUVIAEU-CJNGLKHVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.236

Distribution Coefficient, logD

0.236

Water Solubility, LogSw

-2.34

Polar Surface Area

59.140

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.10

SD15-0415 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SD15-0415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD15-0415?
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What is the minimum amount of SD15-0415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD15-0415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD15-0415
  • 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 SD15-0415 available by request