D635-0050 Screening compound: 2-chloro-3-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

D635-0050 Screening compound: 2-chloro-3-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one
D635-0050 Screening compound: 2-chloro-3-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D635-0050
2-chloro-3-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-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

D635-0050

Molecular Formula

C20H24ClNO3 (C20 H24 ClNO3)

Compound Name

2-chloro-3-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

IUPAC name

2-chloro-3-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]-6H7H8H9H10H-cyclohexa[c]chromen-6-one

SMILES

CC1CN(Cc(c(O)c(cc2C3=C4CCCC3)Cl)c2OC4=O)CCC1

InChI

InChI=1S/C20H24ClNO3/c1-12-5-4-8-22(10-12)11-16-18(23)17(21)9-15-13-6-2-3-7-14(13)20(24)25-19(15)16/h9,12,23H,2-8,10-11H2,1H3/t12-/m0/s1

InChI Key

UUEGAQAXSCEANP-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02670820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.069

Distribution Coefficient, logD

4.460

Water Solubility, LogSw

-4.94

Polar Surface Area

39.910

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

D635-0050 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 D635-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D635-0050?
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What is the minimum amount of D635-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D635-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D635-0050
  • 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 D635-0050 available by request