4277-0080 Screening compound: (6Z)-6-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-imino-2-(2-methylpropyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4277-0080 Screening compound: (6Z)-6-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-imino-2-(2-methylpropyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4277-0080 Screening compound: (6Z)-6-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-imino-2-(2-methylpropyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4277-0080
(6Z)-6-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-imino-2-(2-methylpropyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-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

4277-0080

Molecular Formula

C20H17ClN4O2S (C20 H17 ClN4 O2 S)

Compound Name

(6Z)-6-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-imino-2-(2-methylpropyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-6-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-imino-2-(2-methylpropyl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CC(C)CC(SC1=NC(/C2=C\c3ccc(-c(cccc4)c4Cl)o3)=O)=NN1C2=N

InChI

InChI=1S/C20H17ClN4O2S/c1-11(2)9-17-24-25-18(22)14(19(26)23-20(25)28-17)10-12-7-8-16(27-12)13-5-3-4-6-15(13)21/h3-8,10-11,22H,9H2,1-2H3

InChI Key

WRBJJZYAQFKOQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02951057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.712

Distribution Coefficient, logD

2.969

Water Solubility, LogSw

-4.75

Polar Surface Area

62.492

Acid Dissociation Constant (pKa)

24.30

Base Dissociation Constant (pKb)

9.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 4277-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4277-0080?
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What is the minimum amount of 4277-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4277-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4277-0080
  • 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 4277-0080 available by request