D271-0177 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[2-(propan-2-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D271-0177 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[2-(propan-2-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D271-0177 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[2-(propan-2-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D271-0177
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[2-(propan-2-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

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

D271-0177

Molecular Formula

C23H22ClN3O3S (C23 H22 ClN3 O3 S)

Compound Name

2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[2-(propan-2-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

IUPAC name

2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[2-(propan-2-yloxy)phenyl]-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

CC(C)Oc1c(C(CC(N2)=O)C(C(N3)=O)=C2N=C3SCc(cccc2)c2Cl)cccc1

InChI

InChI=1S/C23H22ClN3O3S/c1-13(2)30-18-10-6-4-8-15(18)16-11-19(28)25-21-20(16)22(29)27-23(26-21)31-12-14-7-3-5-9-17(14)24/h3-10,13,16H,11-12H2,1-2H3,(H2,25,26,27,28,29)/t16-/m1/s1

InChI Key

MUZHJQCZPCMXSX-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD26967530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.923

Distribution Coefficient, logD

3.913

Water Solubility, LogSw

-4.18

Polar Surface Area

64.758

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with D271-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D271-0177?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D271-0177
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D271-0177
  • 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 D271-0177 available by request