V026-9682 Screening compound: 2-methoxyethyl 4-[4-(4-butylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V026-9682 Screening compound: 2-methoxyethyl 4-[4-(4-butylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V026-9682 Screening compound: 2-methoxyethyl 4-[4-(4-butylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-9682
2-methoxyethyl 4-[4-(4-butylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-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

V026-9682

Molecular Formula

C27H33N3O4S (C27 H33 N3 O4 S)

Compound Name

2-methoxyethyl 4-[4-(4-butylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-methoxyethyl 4-[4-(4-butylbenzamido)phenyl]-16-dimethyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCCc(cc1)ccc1C(Nc1ccc(C(C(C(OCCOC)=O)=C(C)N2C)NC2=S)cc1)=O

InChI

InChI=1S/C27H33N3O4S/c1-5-6-7-19-8-10-21(11-9-19)25(31)28-22-14-12-20(13-15-22)24-23(26(32)34-17-16-33-4)18(2)30(3)27(35)29-24/h8-15,24H,5-7,16-17H2,1-4H3,(H,28,31)(H,29,35)/t24-/m1/s1

InChI Key

DEBCOOLVTQPDQB-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19726291

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

4.324

Water Solubility, LogSw

-4.21

Polar Surface Area

66.994

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V026-9682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-9682?
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What is the minimum amount of V026-9682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-9682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-9682
  • 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 V026-9682 available by request