SD64-0457 Screening compound: (5S,6aR)-2-benzyl-N~3a~-methyl-5-{[2-(4-pyridyl)acetyl]amino}hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide

SD64-0457 Screening compound: (5S,6aR)-2-benzyl-N~3a~-methyl-5-{[2-(4-pyridyl)acetyl]amino}hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
SD64-0457 Screening compound: (5S,6aR)-2-benzyl-N~3a~-methyl-5-{[2-(4-pyridyl)acetyl]amino}hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD64-0457
(5S,6aR)-2-benzyl-N~3a~-methyl-5-{[2-(4-pyridyl)acetyl]amino}hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide

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

SD64-0457

Molecular Formula

C23H28N4O2 (C23 H28 N4 O2)

Compound Name

(5S,6aR)-2-benzyl-N~3a~-methyl-5-{[2-(4-pyridyl)acetyl]amino}hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide

IUPAC name

n/a

SMILES

CNC([C@]1(C[C@H](C2)NC(Cc3ccncc3)=O)[C@@H]2CN(Cc2ccccc2)C1)=O

InChI

InChI=1S/C23H28N4O2/c1-24-22(29)23-13-20(26-21(28)11-17-7-9-25-10-8-17)12-19(23)15-27(16-23)14-18-5-3-2-4-6-18/h2-10,19-20H,11-16H2,1H3,(H,24,29)(H,26,28)/t19-,20+,23-/m0/s1

InChI Key

COYKIJLUFUCAPP-MZKRTTBSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.964

Distribution Coefficient, logD

-2.322

Water Solubility, LogSw

-1.36

Polar Surface Area

62.487

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

10.69

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with SD64-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD64-0457?
Check Price and Availability of SD64-0457, 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 SD64-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD64-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD64-0457
  • 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 SD64-0457 available by request