4789-3976 Screening compound: methyl 2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]propanoate

4789-3976 Screening compound: methyl 2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]propanoate
4789-3976 Screening compound: methyl 2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-3976
methyl 2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]propanoate

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

4789-3976

Molecular Formula

C15H18N2O2S2 (C15 H18 N2 O2 S2)

Compound Name

methyl 2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]propanoate

IUPAC name

methyl 2-({11-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}sulfanyl)propanoate

SMILES

CC(C(OC)=O)Sc1c(c(CCC(C)C2)c2s2)c2ncn1

InChI

InChI=1S/C15H18N2O2S2/c1-8-4-5-10-11(6-8)21-14-12(10)13(16-7-17-14)20-9(2)15(18)19-3/h7-9H,4-6H2,1-3H3

InChI Key

AWGVRQATGCLPEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02968200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.226

Distribution Coefficient, logD

4.226

Water Solubility, LogSw

-4.38

Polar Surface Area

42.379

Acid Dissociation Constant (pKa)

15.98

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.30

4789-3976 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4789-3976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-3976?
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What is the minimum amount of 4789-3976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-3976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-3976
  • 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 4789-3976 available by request