SC65-0403 Screening compound: (1S,3R,6S)-N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5-isobutyl-N~1~,N~6~-dimethyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide

SC65-0403 Screening compound: (1S,3R,6S)-N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5-isobutyl-N~1~,N~6~-dimethyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide
SC65-0403 Screening compound: (1S,3R,6S)-N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5-isobutyl-N~1~,N~6~-dimethyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC65-0403
(1S,3R,6S)-N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5-isobutyl-N~1~,N~6~-dimethyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide

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

SC65-0403

Molecular Formula

C21H35N5O2 (C21 H35 N5 O2)

Compound Name

(1S,3R,6S)-N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5-isobutyl-N~1~,N~6~-dimethyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide

IUPAC name

(1S3R6S)-N1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N1N6-dimethyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-16-dicarboxamide

SMILES

CCn1nc(C)c(CN(C)C([C@@H](C2)[C@@]2(C2)CN(CC(C)C)[C@@H]2C(NC)=O)=O)c1

InChI

InChI=1S/C21H35N5O2/c1-7-26-12-16(15(4)23-26)11-24(6)20(28)17-8-21(17)9-18(19(27)22-5)25(13-21)10-14(2)3/h12,14,17-18H,7-11,13H2,1-6H3,(H,22,27)/t17-,18-,21-/m0/s1

InChI Key

ZIBDBVCQMCCOLB-WFXMLNOXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.627

Distribution Coefficient, logD

-0.913

Water Solubility, LogSw

-1.08

Polar Surface Area

60.494

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

8.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

76.19

References: we are preparing a list of scientific research reports with SC65-0403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC65-0403?
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What is the minimum amount of SC65-0403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC65-0403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC65-0403
  • 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 SC65-0403 available by request