V027-2086 Screening compound: N-tert-butyl-4-(3-chlorophenyl)-6-methyl-1-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

V027-2086 Screening compound: N-tert-butyl-4-(3-chlorophenyl)-6-methyl-1-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
V027-2086 Screening compound: N-tert-butyl-4-(3-chlorophenyl)-6-methyl-1-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-2086
N-tert-butyl-4-(3-chlorophenyl)-6-methyl-1-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

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

V027-2086

Molecular Formula

C19H26ClN3OS (C19 H26 ClN3 OS)

Compound Name

N-tert-butyl-4-(3-chlorophenyl)-6-methyl-1-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

N-tert-butyl-4-(3-chlorophenyl)-6-methyl-1-propyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CCCN(C(C)=C(C(c1cccc(Cl)c1)N1)C(NC(C)(C)C)=O)C1=S

InChI

InChI=1S/C19H26ClN3OS/c1-6-10-23-12(2)15(17(24)22-19(3,4)5)16(21-18(23)25)13-8-7-9-14(20)11-13/h7-9,11,16H,6,10H2,1-5H3,(H,21,25)(H,22,24)/t16-/m0/s1

InChI Key

CZCGZPZZLUOZLR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19785081

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

379.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.286

Distribution Coefficient, logD

4.054

Water Solubility, LogSw

-4.54

Polar Surface Area

38.234

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

References: we are preparing a list of scientific research reports with V027-2086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-2086?
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What is the minimum amount of V027-2086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-2086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-2086
  • 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 V027-2086 available by request