SC76-0753 Screening compound: (1aS,7bS)-1a-[(benzyloxy)methyl]-3-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one

SC76-0753 Screening compound: (1aS,7bS)-1a-[(benzyloxy)methyl]-3-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one
SC76-0753 Screening compound: (1aS,7bS)-1a-[(benzyloxy)methyl]-3-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SC76-0753
(1aS,7bS)-1a-[(benzyloxy)methyl]-3-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one

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

SC76-0753

Molecular Formula

C26H31N3O3 (C26 H31 N3 O3)

Compound Name

(1aS,7bS)-1a-[(benzyloxy)methyl]-3-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one

IUPAC name

(1aS7bS)-1a-[(benzyloxy)methyl]-3-[2-(4-methyl-14-diazepan-1-yl)-2-oxoethyl]-1H1aH2H3H7bH-cyclopropa[c]quinolin-2-one

SMILES

CN(CCC1)CCN1C(CN(C([C@]1(COCc2ccccc2)[C@H]2C1)=O)c1c2cccc1)=O

InChI

InChI=1S/C26H31N3O3/c1-27-12-7-13-28(15-14-27)24(30)17-29-23-11-6-5-10-21(23)22-16-26(22,25(29)31)19-32-18-20-8-3-2-4-9-20/h2-6,8-11,22H,7,12-19H2,1H3/t22-,26+/m0/s1

InChI Key

IMXBAOKTXXJFGK-BKMJKUGQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.328

Distribution Coefficient, logD

1.163

Water Solubility, LogSw

-2.69

Polar Surface Area

43.956

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.15

SC76-0753 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC76-0753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC76-0753?
Check Price and Availability of SC76-0753, 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 SC76-0753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC76-0753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC76-0753
  • 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 SC76-0753 available by request