V001-3176 Screening compound: N~1~-butyl-4-[2-(sec-butyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]tetrahydro-1(2H)-pyrazinecarboxamide

V001-3176 Screening compound: N~1~-butyl-4-[2-(sec-butyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]tetrahydro-1(2H)-pyrazinecarboxamide
V001-3176 Screening compound: N~1~-butyl-4-[2-(sec-butyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-3176
N~1~-butyl-4-[2-(sec-butyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]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

V001-3176

Molecular Formula

C23H35N5OS (C23 H35 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(N(CC1)CCN1c1c(c(CCCC2)c2s2)c2nc(C(C)CC)n1)=O

InChI

InChI=1S/C23H35N5OS/c1-4-6-11-24-23(29)28-14-12-27(13-15-28)21-19-17-9-7-8-10-18(17)30-22(19)26-20(25-21)16(3)5-2/h16H,4-15H2,1-3H3,(H,24,29)/t16-/m0/s1

InChI Key

FWRZUPSQLPVKBI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19845878

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

429.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.242

Distribution Coefficient, logD

5.666

Water Solubility, LogSw

-5.53

Polar Surface Area

49.933

Acid Dissociation Constant (pKa)

16.36

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.60

References: we are preparing a list of scientific research reports with V001-3176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-3176?
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What is the minimum amount of V001-3176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-3176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-3176
  • 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 V001-3176 available by request