SC65-0927 Screening compound: (1S,3R,6S)-N~1~-[2-(diethylamino)ethyl]-N~1~-ethyl-N~6~-methyl-5-(phenylsulfonyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide

SC65-0927 Screening compound: (1S,3R,6S)-N~1~-[2-(diethylamino)ethyl]-N~1~-ethyl-N~6~-methyl-5-(phenylsulfonyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide
SC65-0927 Screening compound: (1S,3R,6S)-N~1~-[2-(diethylamino)ethyl]-N~1~-ethyl-N~6~-methyl-5-(phenylsulfonyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC65-0927
(1S,3R,6S)-N~1~-[2-(diethylamino)ethyl]-N~1~-ethyl-N~6~-methyl-5-(phenylsulfonyl)-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

SC65-0927

Molecular Formula

C23H36N4O4S (C23 H36 N4 O4 S)

Compound Name

(1S,3R,6S)-N~1~-[2-(diethylamino)ethyl]-N~1~-ethyl-N~6~-methyl-5-(phenylsulfonyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide

IUPAC name

(1S3R6S)-5-(benzenesulfonyl)-N1-[2-(diethylamino)ethyl]-N1-ethyl-N6-methyl-5-azaspiro[2.4]heptane-16-dicarboxamide

SMILES

CCN(CC)CCN(CC)C([C@@H](C1)[C@@]1(C[C@H]1C(NC)=O)CN1S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C23H36N4O4S/c1-5-25(6-2)13-14-26(7-3)22(29)19-15-23(19)16-20(21(28)24-4)27(17-23)32(30,31)18-11-9-8-10-12-18/h8-12,19-20H,5-7,13-17H2,1-4H3,(H,24,28)/t19-,20-,23-/m0/s1

InChI Key

RTQQWYDLMZFJLH-JTAQYXEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.202

Distribution Coefficient, logD

-0.558

Water Solubility, LogSw

-2.51

Polar Surface Area

77.403

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

65.22

SC65-0927 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC65-0927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC65-0927?
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What is the minimum amount of SC65-0927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC65-0927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC65-0927
  • 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 SC65-0927 available by request