S064-0840 Screening compound: 1-[(furan-2-yl)methyl]-3-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-methylurea

S064-0840 Screening compound: 1-[(furan-2-yl)methyl]-3-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-methylurea
S064-0840 Screening compound: 1-[(furan-2-yl)methyl]-3-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound S064-0840
1-[(furan-2-yl)methyl]-3-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-methylurea

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

S064-0840

Molecular Formula

C16H21N5O3 (C16 H21 N5 O3)

Compound Name

1-[(furan-2-yl)methyl]-3-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-methylurea

IUPAC name

1-[(furan-2-yl)methyl]-3-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3-methylurea

SMILES

CN(C(CC1)CN1c1nccnc1OC)C(NCc1ccco1)=O

InChI

InChI=1S/C16H21N5O3/c1-20(16(22)19-10-13-4-3-9-24-13)12-5-8-21(11-12)14-15(23-2)18-7-6-17-14/h3-4,6-7,9,12H,5,8,10-11H2,1-2H3,(H,19,22)/t12-/m0/s1

InChI Key

HWYGLTGGUBSLHQ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD29031179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.778

Distribution Coefficient, logD

1.778

Water Solubility, LogSw

-1.88

Polar Surface Area

63.222

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

S064-0840 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S064-0840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S064-0840?
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What is the minimum amount of S064-0840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S064-0840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S064-0840
  • 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 S064-0840 available by request