8010-2127 Screening compound: ethyl 2-{(Z)-1-[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6(3H)-carboxylate

8010-2127 Screening compound: ethyl 2-{(Z)-1-[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6(3H)-carboxylate
8010-2127 Screening compound: ethyl 2-{(Z)-1-[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6(3H)-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2127
ethyl 2-{(Z)-1-[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6(3H)-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

8010-2127

Molecular Formula

C31H30IN3O3S (C31 H30 IN3 O3 S)

Compound Name

ethyl 2-{(Z)-1-[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6(3H)-carboxylate

IUPAC name

ethyl (2Z)-2-{[1-(4-iodo-3-methylphenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c1ccc(C)cc1)N1C2=O)=C(C)N=C1S/C2=C\c(cc1C)c(C)n1-c(cc1)cc(C)c1I)=O

InChI

InChI=1S/C31H30IN3O3S/c1-7-38-30(37)27-20(5)33-31-35(28(27)22-10-8-17(2)9-11-22)29(36)26(39-31)16-23-15-19(4)34(21(23)6)24-12-13-25(32)18(3)14-24/h8-16,28H,7H2,1-6H3/t28-/m0/s1

InChI Key

HCVGMIHRAXXNNP-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD01140798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

651.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.196

Distribution Coefficient, logD

7.196

Water Solubility, LogSw

-5.55

Polar Surface Area

48.412

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.81

8010-2127 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-2127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2127?
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What is the minimum amount of 8010-2127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2127
  • 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 8010-2127 available by request