8017-8577 Screening compound: [4-(methoxymethyl)-2,6,11-trimethyldipyrido[3',2':4,5]thieno[3,2-b:3,2-d]pyridin-9-yl]methyl methyl ether

8017-8577 Screening compound: [4-(methoxymethyl)-2,6,11-trimethyldipyrido[3',2':4,5]thieno[3,2-b:3,2-d]pyridin-9-yl]methyl methyl ether
8017-8577 Screening compound: [4-(methoxymethyl)-2,6,11-trimethyldipyrido[3',2':4,5]thieno[3,2-b:3,2-d]pyridin-9-yl]methyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8577
[4-(methoxymethyl)-2,6,11-trimethyldipyrido[3',2':4,5]thieno[3,2-b:3,2-d]pyridin-9-yl]methyl methyl ether

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

8017-8577

Molecular Formula

C22H21N3O2S2 (C22 H21 N3 O2 S2)

Compound Name

[4-(methoxymethyl)-2,6,11-trimethyldipyrido[3',2':4,5]thieno[3,2-b:3,2-d]pyridin-9-yl]methyl methyl ether

IUPAC name

415-bis(methoxymethyl)-61117-trimethyl-920-dithia-71218-triazapentacyclo[11.7.0.0^{210}.0^{38}.0^{1419}]icosa-1(13)2(10)3(8)461114(19)1517-nonaene

SMILES

Cc1cc(COC)c(c(c(s2)c(C)nc34)c3sc3c4c(COC)cc(C)n3)c2n1

InChI

InChI=1S/C22H21N3O2S2/c1-10-6-13(8-26-4)15-17-19(28-21(15)23-10)12(3)25-18-16-14(9-27-5)7-11(2)24-22(16)29-20(17)18/h6-7H,8-9H2,1-5H3

InChI Key

GHUISVVXVWJPMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.831

Distribution Coefficient, logD

4.700

Water Solubility, LogSw

-4.85

Polar Surface Area

45.546

Acid Dissociation Constant (pKa)

27.00

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

8017-8577 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8017-8577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8577?
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What is the minimum amount of 8017-8577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8577
  • 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 8017-8577 available by request