3030-2373 Screening compound: 2-methoxy-4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 2-chlorobenzoate

3030-2373 Screening compound: 2-methoxy-4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 2-chlorobenzoate
3030-2373 Screening compound: 2-methoxy-4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 2-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3030-2373
2-methoxy-4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 2-chlorobenzoate

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

3030-2373

Molecular Formula

C24H22ClN3O4S (C24 H22 ClN3 O4 S)

Compound Name

2-methoxy-4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 2-chlorobenzoate

IUPAC name

2-methoxy-4-{11-methyl-3-oxo-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-5-yl}phenyl 2-chlorobenzoate

SMILES

CN(CC1)Cc2c1c(C(NC(c(cc1)cc(OC)c1OC(c(cccc1)c1Cl)=O)N1)=O)c1s2

InChI

InChI=1S/C24H22ClN3O4S/c1-28-10-9-15-19(12-28)33-23-20(15)22(29)26-21(27-23)13-7-8-17(18(11-13)31-2)32-24(30)14-5-3-4-6-16(14)25/h3-8,11,21,27H,9-10,12H2,1-2H3,(H,26,29)/t21-/m1/s1

InChI Key

FERZRKNCTYGXBA-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01416995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.677

Distribution Coefficient, logD

2.740

Water Solubility, LogSw

-4.45

Polar Surface Area

67.705

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

3030-2373 in Drug Discovery

Included in Screening Libraries

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 3030-2373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3030-2373?
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What is the minimum amount of 3030-2373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3030-2373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3030-2373
  • 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 3030-2373 available by request