V017-4901 Screening compound: 2-hydroxy-3-{(2-methoxyethyl)[(7-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}propyl butyrate

V017-4901 Screening compound: 2-hydroxy-3-{(2-methoxyethyl)[(7-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}propyl butyrate
V017-4901 Screening compound: 2-hydroxy-3-{(2-methoxyethyl)[(7-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}propyl butyrate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4901
2-hydroxy-3-{(2-methoxyethyl)[(7-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}propyl butyrate

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

V017-4901

Molecular Formula

C22H33N3O5S (C22 H33 N3 O5 S)

Compound Name

2-hydroxy-3-{(2-methoxyethyl)[(7-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}propyl butyrate

IUPAC name

2-hydroxy-3-[(2-methoxyethyl)({11-methyl-3-oxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl}methyl)amino]propyl butanoate

SMILES

CCCC(OCC(CN(CCOC)CC(N1)=Nc(sc2c3CCC(C)C2)c3C1=O)O)=O

InChI

InChI=1S/C22H33N3O5S/c1-4-5-19(27)30-13-15(26)11-25(8-9-29-3)12-18-23-21(28)20-16-7-6-14(2)10-17(16)31-22(20)24-18/h14-15,26H,4-13H2,1-3H3,(H,23,24,28)

InChI Key

DAGNRSDPBQCPNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19873060

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

451.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.798

Distribution Coefficient, logD

2.798

Water Solubility, LogSw

-3.12

Polar Surface Area

84.453

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.20

V017-4901 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V017-4901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4901?
Check Price and Availability of V017-4901, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V017-4901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4901
  • 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 V017-4901 available by request