8017-8990 Screening compound: N~1~-cyclopropyl-4-[6-(4-methoxyphenyl)-2-methyl-4-pyrimidinyl]tetrahydro-1(2H)-pyrazinecarbothioamide

8017-8990 Screening compound: N~1~-cyclopropyl-4-[6-(4-methoxyphenyl)-2-methyl-4-pyrimidinyl]tetrahydro-1(2H)-pyrazinecarbothioamide
8017-8990 Screening compound: N~1~-cyclopropyl-4-[6-(4-methoxyphenyl)-2-methyl-4-pyrimidinyl]tetrahydro-1(2H)-pyrazinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8990
N~1~-cyclopropyl-4-[6-(4-methoxyphenyl)-2-methyl-4-pyrimidinyl]tetrahydro-1(2H)-pyrazinecarbothioamide

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

8017-8990

Molecular Formula

C20H25N5OS (C20 H25 N5 OS)

Compound Name

N~1~-cyclopropyl-4-[6-(4-methoxyphenyl)-2-methyl-4-pyrimidinyl]tetrahydro-1(2H)-pyrazinecarbothioamide

IUPAC name

n/a

SMILES

Cc1nc(-c(cc2)ccc2OC)cc(N(CC2)CCN2C(NC2CC2)=S)n1

InChI

InChI=1S/C20H25N5OS/c1-14-21-18(15-3-7-17(26-2)8-4-15)13-19(22-14)24-9-11-25(12-10-24)20(27)23-16-5-6-16/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3,(H,23,27)

InChI Key

CETUGSFUODGEAT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.142

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.23

Polar Surface Area

40.695

Acid Dissociation Constant (pKa)

16.19

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

8017-8990 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-8990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8990?
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What is the minimum amount of 8017-8990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8990
  • 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 8017-8990 available by request