D027-0010 Screening compound: N~1~-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide

D027-0010 Screening compound: N~1~-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide
D027-0010 Screening compound: N~1~-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D027-0010
N~1~-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide

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

D027-0010

Molecular Formula

C18H22N4O3S (C18 H22 N4 O3 S)

Compound Name

N~1~-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide

IUPAC name

N-(5-tert-butyl-134-thiadiazol-2-yl)-3-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}propanamide

SMILES

CC(C)(C)c1nnc(NC(CCN(C(C2C3C4C=CC2C4)=O)C3=O)=O)s1

InChI

InChI=1S/C18H22N4O3S/c1-18(2,3)16-20-21-17(26-16)19-11(23)6-7-22-14(24)12-9-4-5-10(8-9)13(12)15(22)25/h4-5,9-10,12-13H,6-8H2,1-3H3,(H,19,21,23)

InChI Key

AHTWMOKNRFFCPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.974

Distribution Coefficient, logD

1.818

Water Solubility, LogSw

-2.57

Polar Surface Area

77.009

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

61.10

D027-0010 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D027-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D027-0010?
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What is the minimum amount of D027-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D027-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D027-0010
  • 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 D027-0010 available by request