V022-3044 Screening compound: 3-{cyclohexyl[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}-2-hydroxypropyl butyrate

V022-3044 Screening compound: 3-{cyclohexyl[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}-2-hydroxypropyl butyrate
V022-3044 Screening compound: 3-{cyclohexyl[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}-2-hydroxypropyl butyrate alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-3044
3-{cyclohexyl[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}-2-hydroxypropyl 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

V022-3044

Molecular Formula

C24H35N3O4S (C24 H35 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCC(OCC(CN(CC(N1)=Nc(sc2c3CCCC2)c3C1=O)C1CCCCC1)O)=O

InChI

InChI=1S/C24H35N3O4S/c1-2-8-21(29)31-15-17(28)13-27(16-9-4-3-5-10-16)14-20-25-23(30)22-18-11-6-7-12-19(18)32-24(22)26-20/h16-17,28H,2-15H2,1H3,(H,25,26,30)/t17-/m0/s1

InChI Key

OANDWMMBSRAWIB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19870859

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

461.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.133

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.04

Polar Surface Area

74.997

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.83

V022-3044 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V022-3044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-3044?
Check Price and Availability of V022-3044, 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 V022-3044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-3044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-3044
  • 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 V022-3044 available by request