V002-4105 Screening compound: N~1~-butyl-4-(7-methyl-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide

V002-4105 Screening compound: N~1~-butyl-4-(7-methyl-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide
V002-4105 Screening compound: N~1~-butyl-4-(7-methyl-2-propyl-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 V002-4105
N~1~-butyl-4-(7-methyl-2-propyl-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

V002-4105

Molecular Formula

C23H35N5OS (C23 H35 N5 OS)

Compound Name

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

IUPAC name

N-butyl-4-{11-methyl-5-propyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}piperazine-1-carboxamide

SMILES

CCCCNC(N(CC1)CCN1c1c(c(CCC(C)C2)c2s2)c2nc(CCC)n1)=O

InChI

InChI=1S/C23H35N5OS/c1-4-6-10-24-23(29)28-13-11-27(12-14-28)21-20-17-9-8-16(3)15-18(17)30-22(20)26-19(25-21)7-5-2/h16H,4-15H2,1-3H3,(H,24,29)/t16-/m1/s1

InChI Key

FRQRMVARKDBGEY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD19846182

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

6.286

Distribution Coefficient, logD

5.928

Water Solubility, LogSw

-5.54

Polar Surface Area

50.923

Acid Dissociation Constant (pKa)

16.36

Base Dissociation Constant (pKb)

7.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.60

V002-4105 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V002-4105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4105?
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What is the minimum amount of V002-4105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4105
  • 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 V002-4105 available by request