V008-3353 Screening compound: 4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-[4-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide

V008-3353 Screening compound: 4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-[4-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide
V008-3353 Screening compound: 4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-[4-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3353
4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-[4-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide

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

V008-3353

Molecular Formula

C24H26F3N5OS (C24 H26 F3 N5 OS)

Compound Name

4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-[4-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

4-{5-ethyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

SMILES

CCc1nc(N(CC2)CCN2C(Nc2ccc(C(F)(F)F)cc2)=O)c(c(CCCC2)c2s2)c2n1

InChI

InChI=1S/C24H26F3N5OS/c1-2-19-29-21(20-17-5-3-4-6-18(17)34-22(20)30-19)31-11-13-32(14-12-31)23(33)28-16-9-7-15(8-10-16)24(25,26)27/h7-10H,2-6,11-14H2,1H3,(H,28,33)

InChI Key

ODOBILBOHSOODW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19846079

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.204

Distribution Coefficient, logD

5.774

Water Solubility, LogSw

-5.73

Polar Surface Area

49.488

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

References: we are preparing a list of scientific research reports with V008-3353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3353?
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What is the minimum amount of V008-3353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3353
  • 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 V008-3353 available by request