4850-0229 Screening compound: (1-amino-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-yl)(4-chlorophenyl)methanone

4850-0229 Screening compound: (1-amino-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-yl)(4-chlorophenyl)methanone
4850-0229 Screening compound: (1-amino-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-yl)(4-chlorophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4850-0229
(1-amino-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]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

4850-0229

Molecular Formula

C23H24ClN3O3S (C23 H24 ClN3 O3 S)

Compound Name

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

IUPAC name

4-(4-chlorobenzoyl)-1212-dimethyl-8-(morpholin-4-yl)-11-oxa-5-thia-7-azatricyclo[7.4.0.0^{26}]trideca-1(9)2(6)37-tetraen-3-amine

SMILES

CC(C)(C1)OCc(c(N2CCOCC2)n2)c1c1c2sc(C(c(cc2)ccc2Cl)=O)c1N

InChI

InChI=1S/C23H24ClN3O3S/c1-23(2)11-15-16(12-30-23)21(27-7-9-29-10-8-27)26-22-17(15)18(25)20(31-22)19(28)13-3-5-14(24)6-4-13/h3-6H,7-12,25H2,1-2H3

InChI Key

AFRJFXFAKQZPBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01089607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.330

Distribution Coefficient, logD

5.330

Water Solubility, LogSw

-5.98

Polar Surface Area

61.724

Acid Dissociation Constant (pKa)

17.85

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

4850-0229 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 4850-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4850-0229?
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What is the minimum amount of 4850-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4850-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4850-0229
  • 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 4850-0229 available by request