SB75-1436 Screening compound: N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N'-isopropylurea

SB75-1436 Screening compound: N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N'-isopropylurea
SB75-1436 Screening compound: N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N'-isopropylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound SB75-1436
N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N'-isopropylurea

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

SB75-1436

Molecular Formula

C21H29N5O2 (C21 H29 N5 O2)

Compound Name

N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N'-isopropylurea

IUPAC name

1-[(3aR5R6aR)-2-benzyl-3a-(3-methyl-124-oxadiazol-5-yl)-octahydrocyclopenta[c]pyrrol-5-yl]-3-(propan-2-yl)urea

SMILES

CC(C)NC(N[C@H](C[C@H]1CN(Cc2ccccc2)C2)C[C@]12c1nc(C)no1)=O

InChI

InChI=1S/C21H29N5O2/c1-14(2)22-20(27)24-18-9-17-12-26(11-16-7-5-4-6-8-16)13-21(17,10-18)19-23-15(3)25-28-19/h4-8,14,17-18H,9-13H2,1-3H3,(H2,22,24,27)/t17-,18-,21+/m1/s1

InChI Key

LHQOSZJGJUEDLM-OPYAIIAOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.552

Distribution Coefficient, logD

-0.594

Water Solubility, LogSw

-2.73

Polar Surface Area

69.507

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

10.55

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

57.14

SB75-1436 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB75-1436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB75-1436?
Check Price and Availability of SB75-1436, 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 SB75-1436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB75-1436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB75-1436
  • 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 SB75-1436 available by request