SD14-0662 Screening compound: (5aS,9aR)-7-(2,5-dimethylbenzyl)-1-methyl-4-(3-pyridylmethyl)octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione

SD14-0662 Screening compound: (5aS,9aR)-7-(2,5-dimethylbenzyl)-1-methyl-4-(3-pyridylmethyl)octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
SD14-0662 Screening compound: (5aS,9aR)-7-(2,5-dimethylbenzyl)-1-methyl-4-(3-pyridylmethyl)octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SD14-0662
(5aS,9aR)-7-(2,5-dimethylbenzyl)-1-methyl-4-(3-pyridylmethyl)octahydro-1H-pyrido[4,3-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

SD14-0662

Molecular Formula

C24H30N4O2 (C24 H30 N4 O2)

Compound Name

(5aS,9aR)-7-(2,5-dimethylbenzyl)-1-methyl-4-(3-pyridylmethyl)octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione

IUPAC name

(5aS9aR)-7-[(25-dimethylphenyl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]-decahydro-1H-pyrido[43-e][14]diazepine-25-dione

SMILES

Cc1cc(CN(CC[C@@H]2N(C)C(CN3Cc4cnccc4)=O)C[C@H]2C3=O)c(C)cc1

InChI

InChI=1S/C24H30N4O2/c1-17-6-7-18(2)20(11-17)14-27-10-8-22-21(15-27)24(30)28(16-23(29)26(22)3)13-19-5-4-9-25-12-19/h4-7,9,11-12,21-22H,8,10,13-16H2,1-3H3/t21-,22+/m1/s1

InChI Key

MDKVWAULIKLEDI-YADHBBJMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.524

Distribution Coefficient, logD

0.982

Water Solubility, LogSw

-1.88

Polar Surface Area

45.884

Acid Dissociation Constant (pKa)

21.54

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.83

References: we are preparing a list of scientific research reports with SD14-0662 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of SD14-0662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD14-0662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD14-0662
  • 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 SD14-0662 available by request