C508-0495 Screening compound: (6E)-2-(adamantan-1-yl)-5-imino-6-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C508-0495 Screening compound: (6E)-2-(adamantan-1-yl)-5-imino-6-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C508-0495 Screening compound: (6E)-2-(adamantan-1-yl)-5-imino-6-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C508-0495
(6E)-2-(adamantan-1-yl)-5-imino-6-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-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

C508-0495

Molecular Formula

C27H25N5O5S (C27 H25 N5 O5 S)

Compound Name

(6E)-2-(adamantan-1-yl)-5-imino-6-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-2-(adamantan-1-yl)-5-imino-6-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

COc(cc1)cc([N+]([O-])=O)c1-c1ccc(/C=C(\C(N2N=C(C3(CC(C4)C5)CC5CC4C3)SC2=N2)=N)/C2=O)o1

InChI

InChI=1S/C27H25N5O5S/c1-36-17-2-4-19(21(10-17)32(34)35)22-5-3-18(37-22)9-20-23(28)31-26(29-24(20)33)38-25(30-31)27-11-14-6-15(12-27)8-16(7-14)13-27/h2-5,9-10,14-16,28H,6-8,11-13H2,1H3

InChI Key

SREYBMNYDDBKDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.784

Distribution Coefficient, logD

3.444

Water Solubility, LogSw

-5.54

Polar Surface Area

102.975

Acid Dissociation Constant (pKa)

25.42

Base Dissociation Constant (pKb)

9.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

C508-0495 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C508-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0495?
Check Price and Availability of C508-0495, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C508-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0495
  • 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 C508-0495 available by request