C200-3694 Screening compound: methyl 3-({[7-acetyl-3-(3-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate

C200-3694 Screening compound: methyl 3-({[7-acetyl-3-(3-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate
C200-3694 Screening compound: methyl 3-({[7-acetyl-3-(3-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3694
methyl 3-({[7-acetyl-3-(3-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate

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

C200-3694

Molecular Formula

C28H27N3O6S2 (C28 H27 N3 O6 S2)

Compound Name

methyl 3-({[7-acetyl-3-(3-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate

IUPAC name

methyl 3-({[11-acetyl-4-(3-methoxyphenyl)-3-oxo-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl]sulfanyl}methyl)-4-methoxybenzoate

SMILES

CC(N(CC1)Cc2c1c(C(N(c1cc(OC)ccc1)C(SCc(cc(cc1)C(OC)=O)c1OC)=N1)=O)c1s2)=O

InChI

InChI=1S/C28H27N3O6S2/c1-16(32)30-11-10-21-23(14-30)39-25-24(21)26(33)31(19-6-5-7-20(13-19)35-2)28(29-25)38-15-18-12-17(27(34)37-4)8-9-22(18)36-3/h5-9,12-13H,10-11,14-15H2,1-4H3

InChI Key

HXHZLXCLUPYJRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.484

Distribution Coefficient, logD

4.484

Water Solubility, LogSw

-4.50

Polar Surface Area

78.460

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C200-3694 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C200-3694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3694?
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What is the minimum amount of C200-3694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3694
  • 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 C200-3694 available by request