V016-7067 Screening compound: 4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-(2-ethoxyphenyl)tetrahydro-1(2H)-pyrazinecarboxamide

V016-7067 Screening compound: 4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-(2-ethoxyphenyl)tetrahydro-1(2H)-pyrazinecarboxamide
V016-7067 Screening compound: 4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-(2-ethoxyphenyl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-7067
4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-(2-ethoxyphenyl)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

V016-7067

Molecular Formula

C30H33N5O2S (C30 H33 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1NC(N(CC1)CCN1c1c(c(CCCC2)c2s2)c2nc(Cc2ccccc2)n1)=O

InChI

InChI=1S/C30H33N5O2S/c1-2-37-24-14-8-7-13-23(24)31-30(36)35-18-16-34(17-19-35)28-27-22-12-6-9-15-25(22)38-29(27)33-26(32-28)20-21-10-4-3-5-11-21/h3-5,7-8,10-11,13-14H,2,6,9,12,15-20H2,1H3,(H,31,36)

InChI Key

ONQQGAYDJHCHKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19845990

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

527.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.991

Distribution Coefficient, logD

6.869

Water Solubility, LogSw

-5.94

Polar Surface Area

55.729

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.70

References: we are preparing a list of scientific research reports with V016-7067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-7067?
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What is the minimum amount of V016-7067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-7067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-7067
  • 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 V016-7067 available by request