V008-3478 Screening compound: ethyl 2-({[3-(butanoyloxy)-2-hydroxypropyl][(furan-2-yl)methyl]amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

V008-3478 Screening compound: ethyl 2-({[3-(butanoyloxy)-2-hydroxypropyl][(furan-2-yl)methyl]amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
V008-3478 Screening compound: ethyl 2-({[3-(butanoyloxy)-2-hydroxypropyl][(furan-2-yl)methyl]amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3478
ethyl 2-({[3-(butanoyloxy)-2-hydroxypropyl][(furan-2-yl)methyl]amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

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

V008-3478

Molecular Formula

C23H29N3O7S (C23 H29 N3 O7 S)

Compound Name

ethyl 2-({[3-(butanoyloxy)-2-hydroxypropyl][(furan-2-yl)methyl]amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 2-({[3-(butanoyloxy)-2-hydroxypropyl][(furan-2-yl)methyl]amino}methyl)-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCCC(OCC(CN(Cc1ccco1)CC(N1)=Nc(sc(C(OCC)=O)c2C)c2C1=O)O)=O

InChI

InChI=1S/C23H29N3O7S/c1-4-7-18(28)33-13-15(27)10-26(11-16-8-6-9-32-16)12-17-24-21(29)19-14(3)20(23(30)31-5-2)34-22(19)25-17/h6,8-9,15,27H,4-5,7,10-13H2,1-3H3,(H,24,25,29)/t15-/m0/s1

InChI Key

ZERZNSKXTKCJMZ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19873417

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.831

Distribution Coefficient, logD

2.829

Water Solubility, LogSw

-3.20

Polar Surface Area

104.442

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

V008-3478 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V008-3478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3478?
Check Price and Availability of V008-3478, 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 V008-3478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3478
  • 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 V008-3478 available by request