3849-0413 Screening compound: 1-(dimethoxymethyl)-17-(1,3-thiazol-2-yl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione

3849-0413 Screening compound: 1-(dimethoxymethyl)-17-(1,3-thiazol-2-yl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione
3849-0413 Screening compound: 1-(dimethoxymethyl)-17-(1,3-thiazol-2-yl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3849-0413
1-(dimethoxymethyl)-17-(1,3-thiazol-2-yl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione

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

3849-0413

Molecular Formula

C24H20N2O4S (C24 H20 N2 O4 S)

Compound Name

1-(dimethoxymethyl)-17-(1,3-thiazol-2-yl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione

IUPAC name

1-(dimethoxymethyl)-17-(13-thiazol-2-yl)-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2469(14)1012-hexaene-1618-dione

SMILES

COC(C(C(C(C12)C(N3c4nccs4)=O)C3=O)(c3c2cccc3)c2c1cccc2)OC

InChI

InChI=1S/C24H20N2O4S/c1-29-22(30-2)24-15-9-5-3-7-13(15)17(14-8-4-6-10-16(14)24)18-19(24)21(28)26(20(18)27)23-25-11-12-31-23/h3-12,17-19,22H,1-2H3

InChI Key

RXIQSNLSWXBSHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00686296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.441

Distribution Coefficient, logD

2.441

Water Solubility, LogSw

-2.76

Polar Surface Area

54.403

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-5.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with 3849-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3849-0413?
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What is the minimum amount of 3849-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3849-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3849-0413
  • 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 3849-0413 available by request