V014-2846 Screening compound: N~1~-ethyl-4-(7-methyl-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide

V014-2846 Screening compound: N~1~-ethyl-4-(7-methyl-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide
V014-2846 Screening compound: N~1~-ethyl-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 V014-2846
N~1~-ethyl-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

V014-2846

Molecular Formula

C21H31N5OS (C21 H31 N5 OS)

Compound Name

N~1~-ethyl-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-ethyl-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(NCC)=O)c(c(CCC(C)C2)c2s2)c2n1

InChI

InChI=1S/C21H31N5OS/c1-4-6-17-23-19(25-9-11-26(12-10-25)21(27)22-5-2)18-15-8-7-14(3)13-16(15)28-20(18)24-17/h14H,4-13H2,1-3H3,(H,22,27)/t14-/m1/s1

InChI Key

ZXMIMSPQDHRRJK-CQSZACIVSA-N

MDL Number (MFCD)

MFCD19846181

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

401.58

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

4.989

Distribution Coefficient, logD

4.631

Water Solubility, LogSw

-4.75

Polar Surface Area

50.707

Acid Dissociation Constant (pKa)

16.62

Base Dissociation Constant (pKb)

7.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

V014-2846 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V014-2846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-2846?
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What is the minimum amount of V014-2846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-2846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-2846
  • 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 V014-2846 available by request