D364-1657 Screening compound: 6-hydroxy-1,3-dimethyl-5-{5-[4-(propan-2-yl)phenyl]-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

D364-1657 Screening compound: 6-hydroxy-1,3-dimethyl-5-{5-[4-(propan-2-yl)phenyl]-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
D364-1657 Screening compound: 6-hydroxy-1,3-dimethyl-5-{5-[4-(propan-2-yl)phenyl]-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-1657
6-hydroxy-1,3-dimethyl-5-{5-[4-(propan-2-yl)phenyl]-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

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

D364-1657

Molecular Formula

C21H26N4O3S (C21 H26 N4 O3 S)

Compound Name

6-hydroxy-1,3-dimethyl-5-{5-[4-(propan-2-yl)phenyl]-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

IUPAC name

6-hydroxy-13-dimethyl-5-{5-[4-(propan-2-yl)phenyl]-1-propanoyl-45-dihydro-1H-pyrazol-3-yl}-2-sulfanylidene-1234-tetrahydropyrimidin-4-one

SMILES

CCC(N(C(C1)c2ccc(C(C)C)cc2)N=C1C(C(N(C)C(N1C)=S)=O)=C1O)=O

InChI

InChI=1S/C21H26N4O3S/c1-6-17(26)25-16(14-9-7-13(8-10-14)12(2)3)11-15(22-25)18-19(27)23(4)21(29)24(5)20(18)28/h7-10,12,16,27H,6,11H2,1-5H3/t16-/m1/s1

InChI Key

NCNFUOFBODXNLU-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14825253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.779

Distribution Coefficient, logD

-0.381

Water Solubility, LogSw

-2.92

Polar Surface Area

61.525

Acid Dissociation Constant (pKa)

4.24

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

D364-1657 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D364-1657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-1657?
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What is the minimum amount of D364-1657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-1657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-1657
  • 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 D364-1657 available by request