SC76-0631 Screening compound: 2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-(4-ethoxybenzyl)acetamide

SC76-0631 Screening compound: 2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-(4-ethoxybenzyl)acetamide
SC76-0631 Screening compound: 2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-(4-ethoxybenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC76-0631
2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-(4-ethoxybenzyl)acetamide

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

SC76-0631

Molecular Formula

C28H27FN2O4 (C28 H27 FN2 O4)

Compound Name

2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-(4-ethoxybenzyl)acetamide

IUPAC name

2-[(1aS7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1H1aH2H3H7bH-cyclopropa[c]quinolin-3-yl]-N-[(4-ethoxyphenyl)methyl]acetamide

SMILES

CCOc1ccc(CNC(CN(C([C@]2(COc(cc3)ccc3F)[C@H]3C2)=O)c2c3cccc2)=O)cc1

InChI

InChI=1S/C28H27FN2O4/c1-2-34-21-11-7-19(8-12-21)16-30-26(32)17-31-25-6-4-3-5-23(25)24-15-28(24,27(31)33)18-35-22-13-9-20(29)10-14-22/h3-14,24H,2,15-18H2,1H3,(H,30,32)/t24-,28-/m1/s1

InChI Key

AALWXBMERHDPKA-UFHPHHKVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.368

Distribution Coefficient, logD

4.368

Water Solubility, LogSw

-4.20

Polar Surface Area

54.415

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.57

SC76-0631 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with SC76-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC76-0631?
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What is the minimum amount of SC76-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC76-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC76-0631
  • 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 SC76-0631 available by request