3966-1104 Screening compound: (1-amino-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(4-chlorophenyl)methanone

3966-1104 Screening compound: (1-amino-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(4-chlorophenyl)methanone
3966-1104 Screening compound: (1-amino-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(4-chlorophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-1104
(1-amino-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(4-chlorophenyl)methanone

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

3966-1104

Molecular Formula

C25H21ClN2O3 (C25 H21 ClN2 O3)

Compound Name

(1-amino-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(4-chlorophenyl)methanone

IUPAC name

4-(4-chlorobenzoyl)-1212-dimethyl-8-phenyl-511-dioxa-7-azatricyclo[7.4.0.0^{26}]trideca-1(9)2(6)37-tetraen-3-amine

SMILES

CC(C)(C1)OCc(c(-c2ccccc2)n2)c1c1c2oc(C(c(cc2)ccc2Cl)=O)c1N

InChI

InChI=1S/C25H21ClN2O3/c1-25(2)12-17-18(13-30-25)21(14-6-4-3-5-7-14)28-24-19(17)20(27)23(31-24)22(29)15-8-10-16(26)11-9-15/h3-11H,12-13,27H2,1-2H3

InChI Key

ACAWZOKJJBTCIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00326365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.922

Distribution Coefficient, logD

5.922

Water Solubility, LogSw

-6.20

Polar Surface Area

58.523

Acid Dissociation Constant (pKa)

17.52

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3966-1104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-1104?
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What is the minimum amount of 3966-1104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-1104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-1104
  • 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 3966-1104 available by request