K788-9632 Screening compound: (2{E})-3-(3,4-dimethoxyphenyl)-{N}-(6-methyl-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-4-yl)acrylamide

K788-9632 Screening compound: (2{E})-3-(3,4-dimethoxyphenyl)-{N}-(6-methyl-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-4-yl)acrylamide
K788-9632 Screening compound: (2{E})-3-(3,4-dimethoxyphenyl)-{N}-(6-methyl-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-4-yl)acrylamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9632
(2{E})-3-(3,4-dimethoxyphenyl)-{N}-(6-methyl-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-4-yl)acrylamide

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

K788-9632

Molecular Formula

C26H31NO4 (C26 H31 NO4)

Compound Name

(2{E})-3-(3,4-dimethoxyphenyl)-{N}-(6-methyl-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-4-yl)acrylamide

IUPAC name

(2E)-3-(34-dimethoxyphenyl)-N-{6-methyl-34-dihydrospiro[1-benzopyran-21'-cyclohexan]-4-yl}prop-2-enamide

SMILES

Cc(cc1)cc2c1OC1(CCCCC1)CC2NC(/C=C/c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C26H31NO4/c1-18-7-10-22-20(15-18)21(17-26(31-22)13-5-4-6-14-26)27-25(28)12-9-19-8-11-23(29-2)24(16-19)30-3/h7-12,15-16,21H,4-6,13-14,17H2,1-3H3,(H,27,28)/t21-/m0/s1

InChI Key

LDFNMSCYOSGMHL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15108675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.962

Distribution Coefficient, logD

4.962

Water Solubility, LogSw

-4.66

Polar Surface Area

45.358

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.31

K788-9632 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-9632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9632?
Check Price and Availability of K788-9632, 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 K788-9632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9632
  • 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 K788-9632 available by request