D082-0075 Screening compound: methyl 4-(3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-amido)benzoate

D082-0075 Screening compound: methyl 4-(3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-amido)benzoate
D082-0075 Screening compound: methyl 4-(3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D082-0075
methyl 4-(3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-amido)benzoate

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

D082-0075

Molecular Formula

C25H20N4O7S (C25 H20 N4 O7 S)

Compound Name

methyl 4-(3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-amido)benzoate

IUPAC name

methyl 4-(3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-7-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidine-2-amido)benzoate

SMILES

CC(N=C1SC(C(Nc(cc2)ccc2C(OC)=O)=O)=C(C(Nc(cc2)ccc2C(OC)=O)=O)N11)=CC1=O

InChI

InChI=1S/C25H20N4O7S/c1-13-12-18(30)29-19(21(31)27-16-8-4-14(5-9-16)23(33)35-2)20(37-25(29)26-13)22(32)28-17-10-6-15(7-11-17)24(34)36-3/h4-12H,1-3H3,(H,27,31)(H,28,32)

InChI Key

PEJZTTNEZUJRIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05743784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.52

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.188

Distribution Coefficient, logD

1.679

Water Solubility, LogSw

-3.57

Polar Surface Area

114.606

Acid Dissociation Constant (pKa)

5.91

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with D082-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D082-0075?
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What is the minimum amount of D082-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D082-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D082-0075
  • 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 D082-0075 available by request