V031-0445 Screening compound: N~1~-(2,4-difluorophenyl)-4-(7-methyl-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide

V031-0445 Screening compound: N~1~-(2,4-difluorophenyl)-4-(7-methyl-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide
V031-0445 Screening compound: N~1~-(2,4-difluorophenyl)-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 V031-0445
N~1~-(2,4-difluorophenyl)-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

V031-0445

Molecular Formula

C25H29F2N5OS (C25 H29 F2 N5 OS)

Compound Name

N~1~-(2,4-difluorophenyl)-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-(24-difluorophenyl)-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

CCCc1nc(N(CC2)CCN2C(Nc(ccc(F)c2)c2F)=O)c(c(CCC(C)C2)c2s2)c2n1

InChI

InChI=1S/C25H29F2N5OS/c1-3-4-21-29-23(22-17-7-5-15(2)13-20(17)34-24(22)30-21)31-9-11-32(12-10-31)25(33)28-19-8-6-16(26)14-18(19)27/h6,8,14-15H,3-5,7,9-13H2,1-2H3,(H,28,33)/t15-/m1/s1

InChI Key

GTGNMLIGIXBHAM-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD19846198

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

485.6

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

6.675

Distribution Coefficient, logD

6.317

Water Solubility, LogSw

-5.89

Polar Surface Area

48.790

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

7.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with V031-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0445?
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What is the minimum amount of V031-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0445
  • 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 V031-0445 available by request