V013-3764 Screening compound: 4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-(4-methylphenyl)tetrahydro-1(2H)-pyrazinecarboxamide

V013-3764 Screening compound: 4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-(4-methylphenyl)tetrahydro-1(2H)-pyrazinecarboxamide
V013-3764 Screening compound: 4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-(4-methylphenyl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-3764
4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-(4-methylphenyl)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

V013-3764

Molecular Formula

C24H29N5OS (C24 H29 N5 OS)

Compound Name

4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-(4-methylphenyl)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-methylphenyl)piperazine-1-carboxamide

SMILES

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

InChI

InChI=1S/C24H29N5OS/c1-3-20-26-22(21-18-6-4-5-7-19(18)31-23(21)27-20)28-12-14-29(15-13-28)24(30)25-17-10-8-16(2)9-11-17/h8-11H,3-7,12-15H2,1-2H3,(H,25,30)

InChI Key

GGNWQXIPIMMVPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19846055

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

435.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.754

Distribution Coefficient, logD

5.325

Water Solubility, LogSw

-5.56

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 V013-3764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-3764?
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What is the minimum amount of V013-3764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-3764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-3764
  • 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 V013-3764 available by request