Y040-6906 Screening compound: (4'Z)-2',3',9',10'-tetrahydrospiro[cyclohexane-1,8'-cyclopenta[c]pyrano[3,2-g]chromen]-4'(1'H)-one oxime

Y040-6906 Screening compound: (4'Z)-2',3',9',10'-tetrahydrospiro[cyclohexane-1,8'-cyclopenta[c]pyrano[3,2-g]chromen]-4'(1'H)-one oxime
Y040-6906 Screening compound: (4'Z)-2',3',9',10'-tetrahydrospiro[cyclohexane-1,8'-cyclopenta[c]pyrano[3,2-g]chromen]-4'(1'H)-one oxime alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6906
(4'Z)-2',3',9',10'-tetrahydrospiro[cyclohexane-1,8'-cyclopenta[c]pyrano[3,2-g]chromen]-4'(1'H)-one oxime

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

Y040-6906

Molecular Formula

C20H23NO3 (C20 H23 NO3)

Compound Name

(4'Z)-2',3',9',10'-tetrahydrospiro[cyclohexane-1,8'-cyclopenta[c]pyrano[3,2-g]chromen]-4'(1'H)-one oxime

IUPAC name

N-{4'17'-dioxaspiro[cyclohexane-15'-tetracyclo[8.7.0.0^{38}.0^{1115}]heptadecane]-1'3'(8')9'11'(15')-tetraen-16'-ylidene}hydroxylamine

SMILES

O/N=C1\Oc(cc2OC3(CCCCC3)CCc2c2)c2C2=C1CCC2

InChI

InChI=1S/C20H23NO3/c22-21-19-15-6-4-5-14(15)16-11-13-7-10-20(8-2-1-3-9-20)24-17(13)12-18(16)23-19/h11-12,22H,1-10H2

InChI Key

RJCPRRWHWXOPMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10007659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.320

Distribution Coefficient, logD

4.320

Water Solubility, LogSw

-4.21

Polar Surface Area

43.703

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

Y040-6906 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 Y040-6906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6906?
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What is the minimum amount of Y040-6906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6906
  • 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 Y040-6906 available by request