SB74-0449 Screening compound: (3S,5R)-7-isobutyryl-N-[2-(1-methyl-1H-1,3-benzimidazol-2-yl)ethyl]-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide

SB74-0449 Screening compound: (3S,5R)-7-isobutyryl-N-[2-(1-methyl-1H-1,3-benzimidazol-2-yl)ethyl]-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide
SB74-0449 Screening compound: (3S,5R)-7-isobutyryl-N-[2-(1-methyl-1H-1,3-benzimidazol-2-yl)ethyl]-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB74-0449
(3S,5R)-7-isobutyryl-N-[2-(1-methyl-1H-1,3-benzimidazol-2-yl)ethyl]-1-oxo-2,7-diazaspiro[4.4]nonane-3-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

SB74-0449

Molecular Formula

C22H29N5O3 (C22 H29 N5 O3)

Compound Name

(3S,5R)-7-isobutyryl-N-[2-(1-methyl-1H-1,3-benzimidazol-2-yl)ethyl]-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide

IUPAC name

(3S5R)-N-[2-(1-methyl-1H-13-benzodiazol-2-yl)ethyl]-7-(2-methylpropanoyl)-1-oxo-27-diazaspiro[4.4]nonane-3-carboxamide

SMILES

CC(C)C(N(CC1)C[C@@]1(C[C@@H](C(NCCc1nc(cccc2)c2n1C)=O)N1)C1=O)=O

InChI

InChI=1S/C22H29N5O3/c1-14(2)20(29)27-11-9-22(13-27)12-16(25-21(22)30)19(28)23-10-8-18-24-15-6-4-5-7-17(15)26(18)3/h4-7,14,16H,8-13H2,1-3H3,(H,23,28)(H,25,30)/t16-,22+/m0/s1

InChI Key

GEAMDCWVBWYQHX-KSFYIVLOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.794

Distribution Coefficient, logD

0.724

Water Solubility, LogSw

-1.92

Polar Surface Area

79.497

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.54

SB74-0449 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB74-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB74-0449?
Check Price and Availability of SB74-0449, 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 SB74-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB74-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB74-0449
  • 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 SB74-0449 available by request