1900-2964 Screening compound: ethyl (2E)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

1900-2964 Screening compound: ethyl (2E)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
1900-2964 Screening compound: ethyl (2E)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1900-2964
ethyl (2E)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-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

1900-2964

Molecular Formula

C21H17N3O5S2 (C21 H17 N3 O5 S2)

Compound Name

ethyl (2E)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2E)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5-(thiophen-2-yl)-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c1cccs1)N1C2=O)=C(C)N=C1S/C2=C/c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C21H17N3O5S2/c1-3-29-20(26)17-12(2)22-21-23(18(17)15-5-4-10-30-15)19(25)16(31-21)11-13-6-8-14(9-7-13)24(27)28/h4-11,18H,3H2,1-2H3/t18-/m1/s1

InChI Key

MVJDKTZOCSYZEY-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01072619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.032

Distribution Coefficient, logD

4.032

Water Solubility, LogSw

-4.05

Polar Surface Area

80.147

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

1900-2964 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1900-2964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1900-2964?
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What is the minimum amount of 1900-2964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1900-2964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1900-2964
  • 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 1900-2964 available by request