V013-9627 Screening compound: N-methyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-4-amine

V013-9627 Screening compound: N-methyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-4-amine
V013-9627 Screening compound: N-methyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9627
N-methyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-4-amine

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

V013-9627

Molecular Formula

C20H26F3N5O2S (C20 H26 F3 N5 O2 S)

Compound Name

N-methyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-4-amine

IUPAC name

N-methyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-4-amine

SMILES

CCCN(C)c1cc(C(F)(F)F)nc(SCc2ccc(C(N3CCN(C)CC3)=O)o2)n1

InChI

InChI=1S/C20H26F3N5O2S/c1-4-7-27(3)17-12-16(20(21,22)23)24-19(25-17)31-13-14-5-6-15(30-14)18(29)28-10-8-26(2)9-11-28/h5-6,12H,4,7-11,13H2,1-3H3

InChI Key

OYFLTCYFKYLPCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19826632

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

457.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.824

Distribution Coefficient, logD

3.697

Water Solubility, LogSw

-3.80

Polar Surface Area

47.894

Acid Dissociation Constant (pKa)

23.70

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

V013-9627 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V013-9627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9627?
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What is the minimum amount of V013-9627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9627
  • 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 V013-9627 available by request