V017-8807 Screening compound: methyl 7-methyl-3-({[2-(piperidin-1-yl)ethyl]carbamoyl}methyl)-5-(thiophen-3-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V017-8807 Screening compound: methyl 7-methyl-3-({[2-(piperidin-1-yl)ethyl]carbamoyl}methyl)-5-(thiophen-3-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V017-8807 Screening compound: methyl 7-methyl-3-({[2-(piperidin-1-yl)ethyl]carbamoyl}methyl)-5-(thiophen-3-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-8807
methyl 7-methyl-3-({[2-(piperidin-1-yl)ethyl]carbamoyl}methyl)-5-(thiophen-3-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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

V017-8807

Molecular Formula

C22H28N4O3S2 (C22 H28 N4 O3 S2)

Compound Name

methyl 7-methyl-3-({[2-(piperidin-1-yl)ethyl]carbamoyl}methyl)-5-(thiophen-3-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl 7-methyl-3-({[2-(piperidin-1-yl)ethyl]carbamoyl}methyl)-5-(thiophen-3-yl)-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C1SC=C(CC(NCCN2CCCCC2)=O)N1C1c2cscc2)=C1C(OC)=O

InChI

InChI=1S/C22H28N4O3S2/c1-15-19(21(28)29-2)20(16-6-11-30-13-16)26-17(14-31-22(26)24-15)12-18(27)23-7-10-25-8-4-3-5-9-25/h6,11,13-14,20H,3-5,7-10,12H2,1-2H3,(H,23,27)/t20-/m1/s1

InChI Key

HSNOUACIBKRIKP-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19974644

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.329

Distribution Coefficient, logD

0.536

Water Solubility, LogSw

-2.73

Polar Surface Area

61.873

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V017-8807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-8807?
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What is the minimum amount of V017-8807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-8807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-8807
  • 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 V017-8807 available by request