D635-0038 Screening compound: 8-chloro-7-hydroxy-6-[(pyrrolidin-1-yl)methyl]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

D635-0038 Screening compound: 8-chloro-7-hydroxy-6-[(pyrrolidin-1-yl)methyl]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
D635-0038 Screening compound: 8-chloro-7-hydroxy-6-[(pyrrolidin-1-yl)methyl]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D635-0038
8-chloro-7-hydroxy-6-[(pyrrolidin-1-yl)methyl]-1H,2H,3H,4H-cyclopenta[c]chromen-4-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

D635-0038

Molecular Formula

C17H18ClNO3 (C17 H18 ClNO3)

Compound Name

8-chloro-7-hydroxy-6-[(pyrrolidin-1-yl)methyl]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

IUPAC name

8-chloro-7-hydroxy-6-[(pyrrolidin-1-yl)methyl]-1H2H3H4H-cyclopenta[c]chromen-4-one

SMILES

Oc(c(CN1CCCC1)c(c(C1=C2CCC1)c1)OC2=O)c1Cl

InChI

InChI=1S/C17H18ClNO3/c18-14-8-12-10-4-3-5-11(10)17(21)22-16(12)13(15(14)20)9-19-6-1-2-7-19/h8,20H,1-7,9H2

InChI Key

QKKLEPZJDKEPEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02669271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.79

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

3.629

Distribution Coefficient, logD

2.635

Water Solubility, LogSw

-3.71

Polar Surface Area

40.709

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

8.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

D635-0038 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D635-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D635-0038?
Check Price and Availability of D635-0038, 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 D635-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D635-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D635-0038
  • 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 D635-0038 available by request