V025-4125 Screening compound: propan-2-yl 4-(3-cyclopropaneamidophenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V025-4125 Screening compound: propan-2-yl 4-(3-cyclopropaneamidophenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V025-4125 Screening compound: propan-2-yl 4-(3-cyclopropaneamidophenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-4125
propan-2-yl 4-(3-cyclopropaneamidophenyl)-1-ethyl-6-methyl-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

V025-4125

Molecular Formula

C21H27N3O3S (C21 H27 N3 O3 S)

Compound Name

propan-2-yl 4-(3-cyclopropaneamidophenyl)-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

propan-2-yl 4-(3-cyclopropaneamidophenyl)-1-ethyl-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(C)=C(C(c1cc(NC(C2CC2)=O)ccc1)N1)C(OC(C)C)=O)C1=S

InChI

InChI=1S/C21H27N3O3S/c1-5-24-13(4)17(20(26)27-12(2)3)18(23-21(24)28)15-7-6-8-16(11-15)22-19(25)14-9-10-14/h6-8,11-12,14,18H,5,9-10H2,1-4H3,(H,22,25)(H,23,28)/t18-/m1/s1

InChI Key

XRYLJYWUQLQQFS-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19726384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.666

Distribution Coefficient, logD

3.666

Water Solubility, LogSw

-3.78

Polar Surface Area

58.519

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with V025-4125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-4125?
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What is the minimum amount of V025-4125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-4125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-4125
  • 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 V025-4125 available by request