8018-1102 Screening compound: 4-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-3,4-dihydro-2H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(1H)-dione

8018-1102 Screening compound: 4-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-3,4-dihydro-2H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(1H)-dione
8018-1102 Screening compound: 4-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-3,4-dihydro-2H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1102
4-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-3,4-dihydro-2H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(1H)-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

8018-1102

Molecular Formula

C23H18ClN3O4S (C23 H18 ClN3 O4 S)

Compound Name

4-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-3,4-dihydro-2H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(1H)-dione

IUPAC name

10-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-5-thia-2713-triazatricyclo[7.4.0.0^{26}]trideca-1(9)36-triene-812-dione

SMILES

COc(cc(C(CC(N1)=O)C2=C1N(C=CS1)C1=NC2=O)cc1)c1OCc(cccc1)c1Cl

InChI

InChI=1S/C23H18ClN3O4S/c1-30-18-10-13(6-7-17(18)31-12-14-4-2-3-5-16(14)24)15-11-19(28)25-21-20(15)22(29)26-23-27(21)8-9-32-23/h2-10,15H,11-12H2,1H3,(H,25,28)/t15-/m0/s1

InChI Key

QJTGLJAXSAVQLS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD07022662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.565

Distribution Coefficient, logD

2.431

Water Solubility, LogSw

-3.37

Polar Surface Area

64.672

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

8018-1102 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1102?
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What is the minimum amount of 8018-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1102
  • 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 8018-1102 available by request